1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

C9H11N3O — CID 2728743

IUPAC1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13)
InChIKeyXQCLUVVQJMLNAW-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

About 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 2728743) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID2728743
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13)
InChIKeyXQCLUVVQJMLNAW-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 2728743) is 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is XQCLUVVQJMLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13).
What are the key properties of 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 177.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 2728743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).