5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C12H10N4O2 — CID 135485986

IUPAC5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C12H10N4O2/c1-15-11(17)9-7-13-16(10(9)14-12(15)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,18)
InChIKeyGJXAWGNCRURSDW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds1

About 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135485986) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135485986
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C12H10N4O2/c1-15-11(17)9-7-13-16(10(9)14-12(15)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,18)
InChIKeyGJXAWGNCRURSDW-UHFFFAOYSA-N
XLogP0.41
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135882048
1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135426858
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135488823
4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
5-butyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135414794
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135957256
1-methyl-3-(1-phenylindazol-5-yl)-1,3,5-triazinane-2,4,6-trione
CID 139442930
3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione
CID 68619236
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135485986) is 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is GJXAWGNCRURSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-15-11(17)9-7-13-16(10(9)14-12(15)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,18).
What are the key properties of 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 242.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135485986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).