Basic information
- CAS
67026-72-6- Standard SMILES
CC(C)(C)N=C(NO)Nc1cccnc1- InChIKey
RKPLKSDEMAXUCT-UHFFFAOYSA-N- Molecular formula
- C10H16N4O
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.13241115
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-hydroxy-3-(3-pyridyl)-
- IUPAC
- 2-tert-butyl-1-hydroxy-3-pyridin-3-ylguanidine
Names & synonyms
BRN 039701967026-72-6GUANIDINE, 1-tert-BUTYL-2-HYDROXY-3-(3-PYRIDYL)-1-tert-Butyl-2-hydroxy-3-(3-pyridyl)guanidineDTXSID40217271RefChem:346927DTXCID40139762CHEMBL3278375N''-tert-Butyl-N-hydroxy-N'-(pyridin-3-yl)guanidine
Database identifiers
- CAS
67026-72-6- PubChem CID
- 48878
- DTXSID
DTXSID40217271- ChEMBL
CHEMBL3278375- Nikkaji
- J78.440K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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