1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

C16H14FN5O — CID 25333145

IUPAC1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H14FN5O/c1-10-4-3-5-14(18-10)20-16(23)15-19-11(2)22(21-15)13-8-6-12(17)7-9-13/h3-9H,1-2H3,(H,18,20,23)
InChIKeyCXZTZDVINNVKQE-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 25333145) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID25333145
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H14FN5O/c1-10-4-3-5-14(18-10)20-16(23)15-19-11(2)22(21-15)13-8-6-12(17)7-9-13/h3-9H,1-2H3,(H,18,20,23)
InChIKeyCXZTZDVINNVKQE-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 51246107
1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
CID 24508971
N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
CID 46651849
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide
CID 17399887
1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333
1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067736
N-(2-fluoro-5-nitrophenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55433917
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
N-(2,2-dichloroethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 126826968
4-(4-fluorophenoxy)-N-(6-methyl-2-pyridinyl)benzamide
CID 35505697
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 51111472

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 25333145) is 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CXZTZDVINNVKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10-4-3-5-14(18-10)20-16(23)15-19-11(2)22(21-15)13-8-6-12(17)7-9-13/h3-9H,1-2H3,(H,18,20,23).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 25333145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).