1,3-Dimethyl-5-(1-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
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Basic information
- Standard SMILES
Cn1ccc(-c2[nH]cc3c2c(=O)n(C)c(=O)n3C)n1- InChIKey
HJIGONFSKHXHOO-UHFFFAOYSA-N- Molecular formula
- C12H13N5O2
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.10692467
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-(1-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
- IUPAC
- 1,3-dimethyl-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL15795047HJIGONFSKHXHOO-UHFFFAOYSA-N1,3-Dimethyl-5-(1-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Database identifiers
- PubChem CID
- 136348407
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
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Related reactions
2 records
Compound notes
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