Guanidine, 1-tert-butyl-2-cyano-3-(6-methoxy-3-pyridyl)-

HCID 43349

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Basic information

CAS: 60560-10-3
Standard SMILES: COc1ccc(NC(=NC(C)(C)C)NC#N)cn1
InChIKey: YGXRGUVJORFSCM-UHFFFAOYSA-N
Molecular formula: C12H17N5O
Average molar mass: 247.3 g/mol
Monoisotopic mass: 247.14331018

Names & identifiers

Preferred name: Guanidine, 1-tert-butyl-2-cyano-3-(6-methoxy-3-pyridyl)-
IUPAC: 2-tert-butyl-1-cyano-3-(6-methoxy-3-pyridinyl)guanidine
English name: 1-tert-Butyl-2-cyano-3-(6-methoxy-3-pyridyl)guanidine
Molecular formula: C12H17N5O
Molecular weight: 247.3

Names & synonyms

1-tert-Butyl-2-cyano-3-(6-methoxy-3-pyridyl)guanidineBRN 041330360560-10-3GUANIDINE, 1-tert-BUTYL-2-CYANO-3-(6-METHOXY-3-PYRIDYL)-DTXSID90209343RefChem:346925DTXCID10131834CHEMBL89410DB-312375N''-tert-Butyl-N-cyano-N'-(6-methoxypyridin-3-yl)guanidineGuanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-(6-methoxy-3-pyridinyl)-

Database identifiers

CAS: 60560-10-3
PubChem CID: 43349
DTXSID: DTXSID90209343
ChEMBL: CHEMBL89410
Nikkaji: J78.434F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 82.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 338

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