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

C6H9N3O — CID 69270587

IUPAC1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCC2NN=CC12
InChIInChI=1S/C6H9N3O/c10-6-4-3-8-9-5(4)1-2-7-6/h3-5,9H,1-2H2,(H,7,10)
InChIKeyIKYVFVULIVZIES-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.92
Rot. Bonds

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

1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 69270587) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one
PubChem CID69270587
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCC2NN=CC12
InChIInChI=1S/C6H9N3O/c10-6-4-3-8-9-5(4)1-2-7-6/h3-5,9H,1-2H2,(H,7,10)
InChIKeyIKYVFVULIVZIES-UHFFFAOYSA-N
XLogP-0.92
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one (CID 69270587) is 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one is O=C1NCCC2NN=CC12.
What is the InChIKey of 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is IKYVFVULIVZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-4-3-8-9-5(4)1-2-7-6/h3-5,9H,1-2H2,(H,7,10).
What are the key properties of 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one?
1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 69270587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).