5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C12H10N4O — CID 706707

IUPAC5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C12H10N4O/c1-15-8-13-11-10(12(15)17)7-14-16(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWBGGUOUTFBULGO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.12
Rot. Bonds1

About 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 706707) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID706707
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C12H10N4O/c1-15-8-13-11-10(12(15)17)7-14-16(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWBGGUOUTFBULGO-UHFFFAOYSA-N
XLogP1.12
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 706707) is 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WBGGUOUTFBULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-15-8-13-11-10(12(15)17)7-14-16(11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 706707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).