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

C8H8N4O — CID 136559906

IUPAC1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2C1CC1
InChIInChI=1S/C8H8N4O/c13-8-6-3-11-12(5-1-2-5)7(6)9-4-10-8/h3-5H,1-2H2,(H,9,10,13)
InChIKeyTVLXJCPRTLLHEG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.45
Rot. Bonds1

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

1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136559906) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136559906
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2C1CC1
InChIInChI=1S/C8H8N4O/c13-8-6-3-11-12(5-1-2-5)7(6)9-4-10-8/h3-5H,1-2H2,(H,9,10,13)
InChIKeyTVLXJCPRTLLHEG-UHFFFAOYSA-N
XLogP0.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136559906) is 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2C1CC1.
What is the InChIKey of 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is TVLXJCPRTLLHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-8-6-3-11-12(5-1-2-5)7(6)9-4-10-8/h3-5H,1-2H2,(H,9,10,13).
What are the key properties of 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136559906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).