3,7-Dimethyl-4,7-dihydropyrazolo[4,3-d][1,3]oxazin-5(1H)-one
Basic information
- CAS
72499-49-1- Standard SMILES
Cc1[nH]nc2c1NC(=O)OC2C- InChIKey
PFKQSKFFUBCLQC-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- 3,7-Dimethyl-4,7-dihydropyrazolo[4,3-d][1,3]oxazin-5(1H)-one
- IUPAC
- 3,7-dimethyl-4,7-dihydro-2H-pyrazolo[4,3-d][1,3]oxazin-5-one
Names & synonyms
72499-49-13,7-Dimethyl-4,7-dihydropyrazolo[4,3-d][1,3]oxazin-5(1H)-oneNSC3456513,7-Dimethyl-4,7-dihydropyrazolo(4,3-d)(1,3)oxazin-5(1H)-oneNSC 345651NSC-3456513,7-dimethyl-4,7-dihydro-1H-pyrazolo[4,3-d][1,3]oxazin-5-one
Database identifiers
- CAS
72499-49-1- PubChem CID
- 335529
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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