Basic information
- CAS
20271-39-0- Standard SMILES
N#Cc1nnn(-c2ccccc2)c1N- InChIKey
TVTIMSZZFVIKDM-UHFFFAOYSA-N- Molecular formula
- C9H7N5
- Average molar mass
- 185.19 g/mol
- Monoisotopic mass
- 185.07014524
Names & identifiers
- Preferred name
- 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
- IUPAC
- 5-amino-1-phenyltriazole-4-carbonitrile
- English name
- 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
- Molecular formula
- C9H7N5
- Molecular weight
- 185.19
Names & synonyms
20271-39-01-Phenyl-5-amino-1,2,3-triazole-4-nitrileDTXSID70372741RefChem:233188DTXCID703237735-amino-1-phenyltriazole-4-carbonitrile5-amino-1-phenyl-1H-1,2,3-triazole-4-carbonitrileSCHEMBL544268AKOS004904414AT54563DB-082382ST51014863
Show more names
5-Amino-1-phenyl-1H-[1,2,3]triazole-4-carbonitrile1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1-phenyl-
5-amino-1-phenyl-1,2,3-triazole-4-carbonitrile
Database identifiers
- CAS
20271-39-0- PubChem CID
- 2748865
- DTXSID
DTXSID70372741- EC Number
- 978-206-3
- Nikkaji
- J2.930.149B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
吉林中科研伸科技有限公司18143011203 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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