Basic information
- CAS
60560-31-8- Standard SMILES
CCC(C)(C)N=C(NC#N)Nc1ccncc1- InChIKey
YCIUNWKLRAIFJN-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-tert-pentyl-3-(4-pyridyl)guanidine
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
60560-31-82-Cyano-1-tert-pentyl-3-(4-pyridyl)guanidineBRN 0404757GUANIDINE, 2-CYANO-1-tert-PENTYL-3-(4-PYRIDYL)-DTXSID00209354RefChem:346975DTXCID20131845CHEMBL315679SCHEMBL11173831SCHEMBL11173834DB-313882N-Cyano-N''-(2-methylbutan-2-yl)-N'-(pyridin-4-yl)guanidine
Show more names
Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-4-pyridinyl-
Database identifiers
- CAS
60560-31-8- PubChem CID
- 43353
- DTXSID
DTXSID00209354- ChEMBL
CHEMBL315679- Nikkaji
- J78.476A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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