Basic information
- CAS
60560-41-0- Standard SMILES
N#CNC(=NCc1ccccc1)Nc1ccncc1- InChIKey
HKCIAYNSNFLSIC-UHFFFAOYSA-N- Molecular formula
- C14H13N5
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.11709544
Names & identifiers
- Preferred name
- Guanidine, 1-benzyl-2-cyano-3-(4-pyridyl)-
- IUPAC
- 2-benzyl-1-cyano-3-pyridin-4-ylguanidine
- English name
- 1-Benzyl-2-cyano-3-(4-pyridyl)guanidine
- Molecular formula
- C14H13N5
- Molecular weight
- 251.29
Names & synonyms
60560-41-01-Benzyl-2-cyano-3-(4-pyridyl)guanidineBRN 0419060GUANIDINE, 1-BENZYL-2-CYANO-3-(4-PYRIDYL)-DTXSID10209360RefChem:346881DTXCID30131851CHEMBL86979SCHEMBL11157132SCHEMBL11157133DB-311808N''-Benzyl-N-cyano-N'-(pyridin-4-yl)guanidine
Show more names
Guanidine, N-cyano-N'-(phenylmethyl)-N''-4-pyridinyl-
Database identifiers
- CAS
60560-41-0- PubChem CID
- 43356
- DTXSID
DTXSID10209360- ChEMBL
CHEMBL86979- Nikkaji
- J78.425G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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