1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one

C6H7N3O — CID 69129225

IUPAC1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one
SMILESO=C1CCc2[nH]ncc2N1
InChIInChI=1S/C6H7N3O/c10-6-2-1-4-5(8-6)3-7-9-4/h3H,1-2H2,(H,7,9)(H,8,10)
InChIKeyGGZBDQZNMRKVJO-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.29
Rot. Bonds

About 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one

1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one (PubChem CID 69129225) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one
PubChem CID69129225
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one
SMILESO=C1CCc2[nH]ncc2N1
InChIInChI=1S/C6H7N3O/c10-6-2-1-4-5(8-6)3-7-9-4/h3H,1-2H2,(H,7,9)(H,8,10)
InChIKeyGGZBDQZNMRKVJO-UHFFFAOYSA-N
XLogP0.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one (CID 69129225) is 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one is O=C1CCc2[nH]ncc2N1.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one?
The InChIKey is GGZBDQZNMRKVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6-2-1-4-5(8-6)3-7-9-4/h3H,1-2H2,(H,7,9)(H,8,10).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one?
1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one has a molecular weight of 137.14 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 69129225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).