4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
Basic information
- CAS
79248-07-0- Standard SMILES
CN1CNC(=O)c2n[nH]nc21- InChIKey
KUOLNBFGQVJLAU-UHFFFAOYSA-N- Molecular formula
- C5H7N5O
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.06505986
Names & identifiers
- Preferred name
- 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
- IUPAC
- 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
Names & synonyms
79248-07-0NSC3530944-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-oneDTXSID50319972NSC-3530944-Methyl-2,4,5,6-tetrahydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Database identifiers
- CAS
79248-07-0- PubChem CID
- 336910
- DTXSID
DTXSID50319972
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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