1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide

C18H16N6O — CID 155913353

IUPAC1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCc1nc2c(NC(=O)c3cnn(Cc4ccccc4)c3)cccn2n1
InChIInChI=1S/C18H16N6O/c1-13-20-17-16(8-5-9-24(17)22-13)21-18(25)15-10-19-23(12-15)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyNLLZGERQCIMXMZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.53
Rot. Bonds4

About 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide

1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide (PubChem CID 155913353) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
PubChem CID155913353
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCc1nc2c(NC(=O)c3cnn(Cc4ccccc4)c3)cccn2n1
InChIInChI=1S/C18H16N6O/c1-13-20-17-16(8-5-9-24(17)22-13)21-18(25)15-10-19-23(12-15)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyNLLZGERQCIMXMZ-UHFFFAOYSA-N
XLogP2.53
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide (CID 155913353) is 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide is Cc1nc2c(NC(=O)c3cnn(Cc4ccccc4)c3)cccn2n1.
What is the InChIKey of 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The InChIKey is NLLZGERQCIMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-13-20-17-16(8-5-9-24(17)22-13)21-18(25)15-10-19-23(12-15)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,25).
What are the key properties of 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 155913353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).