1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one

C5H6N4O — CID 83872267

IUPAC1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one
SMILESO=C1NCc2[nH]ncc2N1
InChIInChI=1S/C5H6N4O/c10-5-6-1-4-3(8-5)2-7-9-4/h2H,1H2,(H,7,9)(H2,6,8,10)
InChIKeyGSKMIRKFYUSUTL-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.04
Rot. Bonds

About 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one

1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one (PubChem CID 83872267) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one
PubChem CID83872267
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one
SMILESO=C1NCc2[nH]ncc2N1
InChIInChI=1S/C5H6N4O/c10-5-6-1-4-3(8-5)2-7-9-4/h2H,1H2,(H,7,9)(H2,6,8,10)
InChIKeyGSKMIRKFYUSUTL-UHFFFAOYSA-N
XLogP0.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one (CID 83872267) is 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one is O=C1NCc2[nH]ncc2N1.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one?
The InChIKey is GSKMIRKFYUSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-5-6-1-4-3(8-5)2-7-9-4/h2H,1H2,(H,7,9)(H2,6,8,10).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one?
1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one has a molecular weight of 138.13 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 83872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).