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

C13H12N4O — CID 163926898

IUPAC6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(Cc3ccccc3)nc21
InChIInChI=1S/C13H12N4O/c1-17-12-10(8-14-17)13(18)16-11(15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16,18)
InChIKeyRFGYMKFUAKTHDC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds2

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

6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 163926898) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID163926898
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(Cc3ccccc3)nc21
InChIInChI=1S/C13H12N4O/c1-17-12-10(8-14-17)13(18)16-11(15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16,18)
InChIKeyRFGYMKFUAKTHDC-UHFFFAOYSA-N
XLogP1.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 163926898) is 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(Cc3ccccc3)nc21.
What is the InChIKey of 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RFGYMKFUAKTHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-12-10(8-14-17)13(18)16-11(15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16,18).
What are the key properties of 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 163926898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).