Basic information
- CAS
3652-17-3- Standard SMILES
Nc1n[nH]c(-c2ccncc2)n1- InChIKey
PHYOJNNPPUPKEA-UHFFFAOYSA-N- Molecular formula
- C7H7N5
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.07014524
Names & identifiers
- Preferred name
- 5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-pyridin-4-yl-1H-1,2,4-triazol-3-amine
- English name
- 5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C7H7N5
- Molecular weight
- 161.16
Names & synonyms
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amineRefChem:531608859-551-83652-17-33-(4-pyridinyl)-1H-1,2,4-triazol-5-amine1H-1,2,4-Triazol-3-amine, 5-(4-pyridinyl)-5-pyridin-4-yl-1H-1,2,4-triazol-3-amine5-(pyridin-4-yl)-1H-1,2,4-triazol-3-amine3-pyridin-4-yl-1H-1,2,4-triazol-5-amine1H-1,2,4-Triazol-5-amine, 3-(4-pyridinyl)-1H-1,2,4-Triazole, 3-amino-5-(4-pyridyl)-
Show more names
2H-[1,2,4]Triazole, 3-amino-5-(pyridin-4-yl)-1,2,4-1H-5-(4-pyridyl)-1H-1,2,4-triazol-3-amine5- (1H imidazol-1-yl) -2-aminopyridine
CHEMBL432863MFCD004656015-amino-3-(4-pyridyl)-1,2,4-triazole3-(4-pyridyl)-1H-1,2,4-triazole-5-ylamine3-(4'-Pyridyl)-5-amino-1,2,4-triazole5-(4-Pyridinyl)-1H-1,2,4-triazol-3-amine4-(5-Amino-s-triazol-3-yl)pyridine5-(4-pyridyl)-4H-1,2,4-triazol-3-amine
Database identifiers
- CAS
3652-17-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 272 · 272-274 °C
- Boiling point
- 477 · 477.0±47.0 °C(Predicted)
- Density
- 1.401 · 1.401
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.52 · 9.52±0.40(Predicted)
- Appearance
- Pink to orange Solid
- InChI
- InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)
- InChIKey
- PHYOJNNPPUPKEA-UHFFFAOYSA-N
- SMILES
- N1C(N)=NC(C2C=CN=CC=2)=N1
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers36 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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