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

C9H11N3O — CID 59908917

IUPAC1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCc1nn(C)c2c(=O)n(C)ccc12
InChIInChI=1S/C9H11N3O/c1-6-7-4-5-11(2)9(13)8(7)12(3)10-6/h4-5H,1-3H3
InChIKeyXCDXCNHMMGUEOF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.58
Rot. Bonds

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

1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one (PubChem CID 59908917) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one
PubChem CID59908917
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCc1nn(C)c2c(=O)n(C)ccc12
InChIInChI=1S/C9H11N3O/c1-6-7-4-5-11(2)9(13)8(7)12(3)10-6/h4-5H,1-3H3
InChIKeyXCDXCNHMMGUEOF-UHFFFAOYSA-N
XLogP0.58
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-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 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one (CID 59908917) is 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one is Cc1nn(C)c2c(=O)n(C)ccc12.
What is the InChIKey of 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one?
The InChIKey is XCDXCNHMMGUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-7-4-5-11(2)9(13)8(7)12(3)10-6/h4-5H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one?
1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one has a molecular weight of 177.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 59908917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).