Basic information
- CAS
67026-60-2- Standard SMILES
N#CNC(=NC1CCCCC1)Nc1ccccn1- InChIKey
MMCGITJJLOOFFU-UHFFFAOYSA-N- Molecular formula
- C13H17N5
- Average molar mass
- 243.31 g/mol
- Monoisotopic mass
- 243.14839556
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-cyclohexyl-3-(2-pyridyl)-
- IUPAC
- 1-cyano-2-cyclohexyl-3-pyridin-2-ylguanidine
- English name
- 2-Cyano-1-cyclohexyl-3-(2-pyridyl)guanidine
- Molecular formula
- C13H17N5
- Molecular weight
- 243.31
Names & synonyms
BRN 041833267026-60-22-Cyano-1-cyclohexyl-3-(2-pyridyl)guanidineGUANIDINE, 2-CYANO-1-CYCLOHEXYL-3-(2-PYRIDYL)-DTXSID30217265RefChem:346959DTXCID30139756CHEMBL85073N-Cyano-N''-cyclohexyl-N'-(pyridin-2-yl)guanidineGuanidine, N-cyano-N'-cyclohexyl-N''-2-pyridinyl-
Database identifiers
- CAS
67026-60-2- PubChem CID
- 48876
- DTXSID
DTXSID30217265- ChEMBL
CHEMBL85073- Nikkaji
- J78.459A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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