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

C8H13N3O — CID 83845989

IUPAC1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C8H13N3O/c1-10-4-3-6-7(5-10)11(2)9-8(6)12/h3-5H2,1-2H3,(H,9,12)
InChIKeyRTJSHXCMMQEMGB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.30
Rot. Bonds

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

1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 83845989) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID83845989
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C8H13N3O/c1-10-4-3-6-7(5-10)11(2)9-8(6)12/h3-5H2,1-2H3,(H,9,12)
InChIKeyRTJSHXCMMQEMGB-UHFFFAOYSA-N
XLogP-0.30
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 83845989) is 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CN1CCc2c(n(C)[nH]c2=O)C1.
What is the InChIKey of 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is RTJSHXCMMQEMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-4-3-6-7(5-10)11(2)9-8(6)12/h3-5H2,1-2H3,(H,9,12).
What are the key properties of 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83845989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).