N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C17H15FN4O — CID 2150259

IUPACN-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C17H15FN4O/c1-11-3-9-15(10-4-11)22-12(2)16(20-21-22)17(23)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,23)
InChIKeyDHKJFTFVWBNHQP-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

About N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 2150259) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID2150259
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C17H15FN4O/c1-11-3-9-15(10-4-11)22-12(2)16(20-21-22)17(23)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,23)
InChIKeyDHKJFTFVWBNHQP-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 55599105
1-(4-fluorophenyl)-5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]triazole-4-carboxamide
CID 55653087
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
CID 55891897
5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
CID 86843572

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 2150259) is N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is DHKJFTFVWBNHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-3-9-15(10-4-11)22-12(2)16(20-21-22)17(23)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2150259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).