Basic information
- CAS
60560-01-2- Standard SMILES
CCC(CC)N=C(NC#N)Nc1cccnc1- InChIKey
VUTFWRRFRIIESD-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(3-pentyl)-3-(3-pyridyl)-
- IUPAC
- 1-cyano-2-pentan-3-yl-3-pyridin-3-ylguanidine
- English name
- 2-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidine
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
60560-01-2BRN 04836222-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidineGUANIDINE, 2-CYANO-1-(3-PENTYL)-3-(3-PYRIDYL)-Guanidine, 2-cyano-1-(1-ethylpropyl)-3-(3-pyridyl)-DTXSID40209338RefChem:346949DTXCID60131829CHEMBL87630SCHEMBL11153471DB-313876N-Cyano-N''-(pentan-3-yl)-N'-(pyridin-3-yl)guanidine
Show more names
Guanidine, N-cyano-N'-(1-ethylpropyl)-N''-3-pyridinyl-
Database identifiers
- CAS
60560-01-2- PubChem CID
- 43346
- DTXSID
DTXSID40209338- ChEMBL
CHEMBL87630- Nikkaji
- J78.477J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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