3-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1-(oxan-2-yl)-1H-pyrazole-4-carboxamide
Basic information
- CAS
71609-13-7- Standard SMILES
CN(C)N=Nc1nn(C2CCCCO2)cc1C(N)=O- InChIKey
DGLMNZZCNSXUIR-UHFFFAOYSA-N- Molecular formula
- C11H18N6O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.14912384
Names & identifiers
- Preferred name
- 3-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1-(oxan-2-yl)-1H-pyrazole-4-carboxamide
- IUPAC
- 3-(dimethylaminodiazenyl)-1-(oxan-2-yl)pyrazole-4-carboxamide
Names & synonyms
71609-13-7NSC166617CHEMBL3275109DTXSID30304644NSC-1666173-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1-(oxan-2-yl)-1H-pyrazole-4-carboxamide
Database identifiers
- CAS
71609-13-7- PubChem CID
- 296456
- DTXSID
DTXSID30304644- ChEMBL
CHEMBL3275109
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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