1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C18H19N5O — CID 17015530

IUPAC1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H19N5O/c1-13(2)14-6-8-16(9-7-14)23-12-17(21-22-23)18(24)20-11-15-5-3-4-10-19-15/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyLTYBVTCIDZZBMG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 17015530) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID17015530
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H19N5O/c1-13(2)14-6-8-16(9-7-14)23-12-17(21-22-23)18(24)20-11-15-5-3-4-10-19-15/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyLTYBVTCIDZZBMG-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015529
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 17015530) is 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CC(C)c1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is LTYBVTCIDZZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13(2)14-6-8-16(9-7-14)23-12-17(21-22-23)18(24)20-11-15-5-3-4-10-19-15/h3-10,12-13H,11H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 17015530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).