1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide

C12H11N7O — CID 110471594

IUPAC1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnn(-c3ccccn3)c2)nn1
InChIInChI=1S/C12H11N7O/c1-18-8-10(16-17-18)12(20)15-9-6-14-19(7-9)11-4-2-3-5-13-11/h2-8H,1H3,(H,15,20)
InChIKeyYZBBZROSLUOGBT-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.65
Rot. Bonds3

About 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide

1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide (PubChem CID 110471594) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
PubChem CID110471594
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnn(-c3ccccn3)c2)nn1
InChIInChI=1S/C12H11N7O/c1-18-8-10(16-17-18)12(20)15-9-6-14-19(7-9)11-4-2-3-5-13-11/h2-8H,1H3,(H,15,20)
InChIKeyYZBBZROSLUOGBT-UHFFFAOYSA-N
XLogP0.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 118427664
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
1-pyridin-2-ylpyrazole-4-carbonyl chloride
CID 83814309
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 155950936
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide (CID 110471594) is 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide is Cn1cc(C(=O)Nc2cnn(-c3ccccn3)c2)nn1.
What is the InChIKey of 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide?
The InChIKey is YZBBZROSLUOGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c1-18-8-10(16-17-18)12(20)15-9-6-14-19(7-9)11-4-2-3-5-13-11/h2-8H,1H3,(H,15,20).
What are the key properties of 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide?
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 110471594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).