N-cyano-N'-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanimidamide
Basic information
- CAS
89250-75-9- Standard SMILES
N#CNC=Nc1ccc(-c2ncn[nH]2)cc1- InChIKey
AWIRMLQHKQUVKE-UHFFFAOYSA-N- Molecular formula
- C10H8N6
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.08104428
Names & identifiers
- Preferred name
- N-cyano-N'-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanimidamide
- IUPAC
- N-cyano-N'-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanimidamide
Names & synonyms
89250-75-9SCHEMBL10730960SCHEMBL10730967DTXSID10603208AWIRMLQHKQUVKE-UHFFFAOYSA-NN-cyano-N'-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanimidamideN-Cyano-N'-[4-(1,2,4-triazol-3-yl)-phenyl]-formamidine
Database identifiers
- CAS
89250-75-9- PubChem CID
- 20165111
- DTXSID
DTXSID10603208
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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