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Basic information
- CAS
69820-63-9- Standard SMILES
CCCCC(C#N)(Cn1cncn1)c1ccccc1- InChIKey
WSBXOYCTBXULGP-UHFFFAOYSA-N- Molecular formula
- C15H18N4
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.15314659
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-phenyl-
- IUPAC
- 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Names & synonyms
69820-63-91H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-phenyl-SCHEMBL7808329DTXSID10990089DB-2034892-Phenyl-2-(1h-1,2,4-triazol-1-ylmethyl)hexanenitrile2-Phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrilealpha-butyl-alpha-phenyl-1H-1,2,4-triazole-1propanenitrilealpha-butyl-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile1H-1,2,4-Triazole-1-propanenitrile, .alpha.-butyl-.alpha.-phenyl-
Database identifiers
- CAS
69820-63-9- PubChem CID
- 155337
- DTXSID
DTXSID10990089
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
6 records
Compound notes
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