1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one

C6H9N3O — CID 55285412

IUPAC1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CCNC2
InChIInChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)
InChIKeyUPMMUUFLHUEUKP-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.65
Rot. Bonds

About 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one

1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 55285412) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID55285412
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CCNC2
InChIInChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)
InChIKeyUPMMUUFLHUEUKP-UHFFFAOYSA-N
XLogP-0.65
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one (CID 55285412) is 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one is O=c1[nH][nH]c2c1CCNC2.
What is the InChIKey of 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is UPMMUUFLHUEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10).
What are the key properties of 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one?
1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 55285412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).