1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C12H12N6O3 — CID 106596785

IUPAC1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Oc3ncn(C)n3)c12
InChIInChI=1S/C12H12N6O3/c1-6-8-9(21-12-14-5-17(2)16-12)7(11(19)20)4-13-10(8)18(3)15-6/h4-5H,1-3H3,(H,19,20)
InChIKeySOVWKYGMXILTGW-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.90
Rot. Bonds3

About 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 106596785) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID106596785
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Oc3ncn(C)n3)c12
InChIInChI=1S/C12H12N6O3/c1-6-8-9(21-12-14-5-17(2)16-12)7(11(19)20)4-13-10(8)18(3)15-6/h4-5H,1-3H3,(H,19,20)
InChIKeySOVWKYGMXILTGW-UHFFFAOYSA-N
XLogP0.90
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 116792570
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937445
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
1,3-dimethyl-4-(2-propoxyethoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937464
1,3-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazole-4-carboxylic acid
CID 106598525
1,3-dimethyl-4-(2-methylpentoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103283210
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
1,3-dimethyl-4-pyridin-4-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937733
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
2-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzoic acid
CID 106596756
1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 70807283

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 106596785) is 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(Oc3ncn(C)n3)c12.
What is the InChIKey of 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is SOVWKYGMXILTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-6-8-9(21-12-14-5-17(2)16-12)7(11(19)20)4-13-10(8)18(3)15-6/h4-5H,1-3H3,(H,19,20).
What are the key properties of 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 106596785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).