1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C7H6N4O2 — CID 135535880

IUPAC1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C7H6N4O2/c1-4(12)11-6-5(2-10-11)7(13)9-3-8-6/h2-3H,1H3,(H,8,9,13)
InChIKeyHBVOLZAKVSHTFL-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.22
Rot. Bonds

About 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135535880) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135535880
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C7H6N4O2/c1-4(12)11-6-5(2-10-11)7(13)9-3-8-6/h2-3H,1H3,(H,8,9,13)
InChIKeyHBVOLZAKVSHTFL-UHFFFAOYSA-N
XLogP-0.22
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135535880) is 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(=O)n1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HBVOLZAKVSHTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-4(12)11-6-5(2-10-11)7(13)9-3-8-6/h2-3H,1H3,(H,8,9,13).
What are the key properties of 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 178.15 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).