1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H10N4O — CID 135455617

IUPAC1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(-c3ccccc3)nc21
InChIInChI=1S/C12H10N4O/c1-16-11-9(7-13-16)12(17)15-10(14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,17)
InChIKeyHHFJVXPADRAPAY-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.32
Rot. Bonds1

About 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135455617) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135455617
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(-c3ccccc3)nc21
InChIInChI=1S/C12H10N4O/c1-16-11-9(7-13-16)12(17)15-10(14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,17)
InChIKeyHHFJVXPADRAPAY-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135455617) is 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(-c3ccccc3)nc21.
What is the InChIKey of 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HHFJVXPADRAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-16-11-9(7-13-16)12(17)15-10(14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,17).
What are the key properties of 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135455617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).