N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-(1-hydroxypyridin-4(1H)-ylidene)guanidine
Basic information
- CAS
83285-82-9- Standard SMILES
CC(N=C(N=c1ccn(O)cc1)NC#N)C(C)(C)C- InChIKey
DQRXZTGBHIYUGA-UHFFFAOYSA-N- Molecular formula
- C13H19N5O
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.15896025
Overview
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Names & identifiers
- Preferred name
- N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-(1-hydroxypyridin-4(1H)-ylidene)guanidine
- IUPAC
- 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(1-hydroxy-4-pyridinylidene)guanidine
Names & synonyms
DTXSID601003259N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-(1-hydroxypyridin-4(1H)-ylidene)guanidineRefChem:1090103DTXCID701430176Pinacidil pyridine N-oxide83285-82-9N-Cyano-N'-(pyridin-4-yl)-N''-(1,2,2-trimethylpropyl)guanidine N-oxidePinacidil N-oxideEINECS 280-367-3(+-)-N''-Cyano-N-(1-oxido-4-pyridyl)-N'-(1,2,2-trimethylpropyl)guanidine1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(1-hydroxypyridin-4-ylidene)guanidineCHEMBL1053
Show more names
DQRXZTGBHIYUGA-UHFFFAOYSA-NGuanidine, N-cyano-N-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, N-oxideNS00117912P 1368N-cyano-N'-4-pyridinyl-N-oxide-N''-(1,2,2-trimethylpropyl)guanidine
Database identifiers
- CAS
83285-82-9- PubChem CID
- 64775
- DTXSID
DTXSID601003259- ChEMBL
CHEMBL1053- Nikkaji
- J326.784I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 471
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(1-hydroxypyridin-4-ylidene)guanidine is a known human metabolite of CTK0G1203.
Related reactions
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Compound notes
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