Basic information
- CAS
67026-47-5- Standard SMILES
CCC(C)C(C)N=C(NC#N)Nc1ccncc1- InChIKey
XQFFURSERZYVPP-UHFFFAOYSA-N- Molecular formula
- C13H19N5
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16404563
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(1,2-dimethylbutyl)-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-(3-methylpentan-2-yl)-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-(1,2-dimethylbutyl)-3-(4-pyridyl)guanidine
- Molecular formula
- C13H19N5
- Molecular weight
- 245.32
Names & synonyms
67026-47-5GUANIDINE, 2-CYANO-1-(1,2-DIMETHYLBUTYL)-3-(4-PYRIDYL)-RefChem:1086249BRN 04135712-Cyano-1-(1,2-dimethylbutyl)-3-(4-pyridyl)guanidineCHEMBL87668DTXSID40985887N''-Cyano-N-(3-methylpentan-2-yl)-N'-(pyridin-4(1H)-ylidene)guanidineN''-Cyano-N-(3-methylpentan-2-yl)-N'-pyridin-4(1H)-ylideneguanidineGuanidine, N-cyano-N'-(1,2-dimethylbutyl)-N''-4-pyridinyl-
Database identifiers
- CAS
67026-47-5- PubChem CID
- 48868
- DTXSID
DTXSID40985887- ChEMBL
CHEMBL87668- Nikkaji
- J78.466D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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