4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-
Basic information
- CAS
141300-29-0- Standard SMILES
COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1- InChIKey
XSUAKXJENOJVNQ-UHFFFAOYSA-N- Molecular formula
- C13H10N6O2
- Average molar mass
- 282.26 g/mol
- Monoisotopic mass
- 282.08652358
Names & identifiers
- Preferred name
- 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-
- IUPAC
- 10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Names & synonyms
141300-29-0BRN 48813594H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-DTXSID301616731,8-Dihydro-8-(4-methoxyphenyl)-4H-pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-oneRefChem:297705DTXCID3084164NSC6589208-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4(8H)-one8-(4-Methoxyphenyl)-1,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-oneCHEMBL1982786NSC-658920
Show more names
NCI60_0207428-(4-methoxyphenyl)-1H-[1,2,4]triazolo[[?]]pyrazolo[[?]]pyrimidin-4-one
Database identifiers
- CAS
141300-29-0- PubChem CID
- 377463
- DTXSID
DTXSID30161673- ChEMBL
CHEMBL1982786- Nikkaji
- J475.940K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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