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

C19H19FN4O — CID 51246107

IUPAC1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H19FN4O/c1-11-9-12(2)17(13(3)10-11)22-19(25)18-21-14(4)24(23-18)16-7-5-15(20)6-8-16/h5-10H,1-4H3,(H,22,25)
InChIKeyVUYHJOYDJTXQDA-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.89
Rot. Bonds3

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

1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 51246107) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID51246107
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H19FN4O/c1-11-9-12(2)17(13(3)10-11)22-19(25)18-21-14(4)24(23-18)16-7-5-15(20)6-8-16/h5-10H,1-4H3,(H,22,25)
InChIKeyVUYHJOYDJTXQDA-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 25333145
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide
CID 24509234
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
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
N-(2-fluoro-5-nitrophenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55433917
N-(2,2-dichloroethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 126826968
N-(3-chloro-4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 9456229
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 51111472
3-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249141
methyl 2-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26466549

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide (CID 51246107) is 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cc(C)c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VUYHJOYDJTXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-11-9-12(2)17(13(3)10-11)22-19(25)18-21-14(4)24(23-18)16-7-5-15(20)6-8-16/h5-10H,1-4H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).