Basic information
- CAS
767-62-4- Standard SMILES
Nc1nnc2ccccn12- InChIKey
NCZQAIFOXJOCFI-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Amino-(1,2,4)triazolo(4,3-a)pyridine
- IUPAC
- [1,2,4]triazolo[4,3-a]pyridin-3-amine
- English name
- [1,2,4]triazolo[4,3-a]pyridin-3-amine
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
3-Amino-[1,2,4]triazolo[4,3-a]pyridine3-amino-(1,2,4)triazolo(4,3-a)pyridineRefChem:391252[1,2,4]triazolo[4,3-a]pyridin-3-amine767-62-41,2,4-Triazolo[4,3-a]pyridin-3-amineMFCD03196503s-Triazolo[4,3-a]pyridine, 3-amino-NSC76010(1,2,4)Triazolo(4,3-a)pyridin-3(2H)-imineSCHEMBL558515DTXSID00227497
Show more names
3-amino-s-triazolo--pyridne3-Amino-1,2,4-triazole[4,3-a]pyridine3-Amino-1,2,4-triazolo[4,3-a]pyridine[1,2,4]triazolo[4,3-a]pyridin-3-ylamine[1,2,4]triazolo[4,3-a]pyridin-3-amine 0.9HBr3-Amino-1,2,4-triazolo[4,3-a]pyridine[1,2,4]Triazolo[4,3-a]pyridin-3-amine - [T92322][1,2,4]triazolo[4,3-a]pyridin-3-amine(SALTDATA: 0.9HBr)[1,2,4]triazolo[4,3-a]pyridin-3-aMine hydrobroMide (SALTDATA: HBr)
3-amino-s-triazolo[4,3-a]pyridineNSC-76010AKOS000670803SY168053EN300-358482H-[1,2,4]triazolo[4,3-a]pyridin-3-imineZ362020366[1,2,4]Triazolo[4,3-a]pyridin-3(2H)-imine
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 226 · 226-232°C
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 5.75 · 5.75±0.50(Predicted)
- form
- solid
- Appearance
- Brown to dark brown Solid
- InChI
- 1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
- InChIKey
- NCZQAIFOXJOCFI-UHFFFAOYSA-N
- SMILES
- Nc1nnc2ccccn12
- CAS DataBase Reference
- 767 · 767-62-4
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers52 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海凌飞医药科技有限公司13764318709 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
重庆旭晗科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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