Basic information
- CAS
3663-61-4- Standard SMILES
Nc1n[nH]c(-c2ccco2)n1- InChIKey
PXCDIRKSCUAMKA-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416081
Names & identifiers
- Preferred name
- 5-(2-Furyl)-4h-1,2,4-triazol-3-amine
- IUPAC
- 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
- English name
- 1H-1,2,4-Triazol-3-amine,5-(2-furanyl)-(9CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
3-(furan-2-yl)-1H-1,2,4-triazol-5-amine5-(2-furyl)-4H-1,2,4-triazol-3-amineRefChem:529530816-780-83663-61-43-(2-furyl)-1H-1,2,4-triazol-5-amine5-(Furan-2-yl)-1H-1,2,4-triazol-3-amineMFCD121984241H-1,2,4-Triazol-3-amine,5-(2-furanyl)-(9CI)5-Amino-3-(2-furyl)-1H-1,2,4-triazole5-(furan-2-yl)-4H-1,2,4-triazol-3-amine1H-1,2,4-triazol-5-amine, 3-(2-furanyl)-
Show more names
5-furan-2-yl-1H-1,2,4-triazol-3-amine[5-(2-furyl)-1H-1,2,4-triazol-3-yl]amine5-(furan-2-yl)-2H-1,2,4-triazol-3-amine - [AC79990]
5-(2-furyl)-1H-1,2,4-triazol-3-amine5-(furan-2-yl)-2H-1,2,4-triazol-3-amineSCHEMBL8731561CHEMBL4539447SCHEMBL12282580DTXSID10434433PXCDIRKSCUAMKA-UHFFFAOYSA-NALBB-017029
Database identifiers
- CAS
3663-61-4- PubChem CID
- 10034780
- DTXSID
DTXSID10434433- ChEMBL
CHEMBL4539447- EC Number
- 816-780-8
- Nikkaji
- J2.704.349F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 211 · 211-212 °C
- Boiling point
- 413.8 · 413.8±37.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.78 · 10.78±0.40(Predicted)
- InChI
- InChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
- InChIKey
- PXCDIRKSCUAMKA-UHFFFAOYSA-N
- SMILES
- N1C(N)=NC(C2=CC=CO2)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers28 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海苏博医药科技有限公司021-54156369 16621315851 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州施力医药科技有限公司051988727299; 13961229012 · [email protected]
石家庄默康医药科技有限公司18103213005 · [email protected]
南京斯诺嘉医药科技有限公司188 5197 8348 18851978348
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海安米克化学品有限公司微信：17321281695 18019252918
苏州昊帆生物股份有限公司0512-68311833 13962195826 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
山东百启生物医药有限公司0536-8998390 13173160180 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州昊帆生物股份有限公司+86-0512-68071238 +86-13771819922 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
杭州米龙生物科技有限公司18083715844 · [email protected]
Related reactions
5 records
Compound notes
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