1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

C12H12N6O — CID 71790755

IUPAC1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnn3ccccc23)nn1
InChIInChI=1S/C12H12N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h2-5,7-8H,6H2,1H3,(H,13,19)
InChIKeyICRCTNDJGWJRHU-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.39
Rot. Bonds3

About 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 71790755) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID71790755
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnn3ccccc23)nn1
InChIInChI=1S/C12H12N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h2-5,7-8H,6H2,1H3,(H,13,19)
InChIKeyICRCTNDJGWJRHU-UHFFFAOYSA-N
XLogP0.39
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-[1-(4-Methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
4-(Cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914031
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291627
4-[[(1R,3R)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291797
4-[[(1R,3S)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291981
4-[[(1S,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292196
US9586948, Example 12
CID 117871750

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (CID 71790755) is 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is Cn1cc(C(=O)NCc2cnn3ccccc23)nn1.
What is the InChIKey of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is ICRCTNDJGWJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-17-8-10(15-16-17)12(19)13-6-9-7-14-18-5-3-2-4-11(9)18/h2-5,7-8H,6H2,1H3,(H,13,19).
What are the key properties of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 71790755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).