Basic information
- CAS
60560-26-1- Standard SMILES
C=C(C)CN=C(NC#N)Nc1cccnc1- InChIKey
NJBMWPWDGBWPJO-UHFFFAOYSA-N- Molecular formula
- C11H13N5
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11709544
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(2-methylallyl)-3-(3-pyridyl)-
- IUPAC
- 1-cyano-2-(2-methylprop-2-enyl)-3-pyridin-3-ylguanidine
Names & synonyms
BRN 048090360560-26-1GUANIDINE, 2-CYANO-1-(2-METHYLALLYL)-3-(3-PYRIDYL)-2-Cyano-1-(2-methylallyl)-3-(3-pyridyl)guanidineDTXSID60209350RefChem:346947DTXCID80131841CHEMBL87206SCHEMBL11154735N-Cyano-N''-(2-methylprop-2-en-1-yl)-N'-(pyridin-3-yl)guanidine
Database identifiers
- CAS
60560-26-1- PubChem CID
- 43352
- DTXSID
DTXSID60209350- ChEMBL
CHEMBL87206- Nikkaji
- J78.471K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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