N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

C18H16N4O2 — CID 8712853

IUPACN-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C18H16N4O2/c1-12-17(21-22(20-12)16-6-4-3-5-7-16)18(24)19-15-10-8-14(9-11-15)13(2)23/h3-11H,1-2H3,(H,19,24)
InChIKeyGVFYHICNKFSUPG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.03
Rot. Bonds4

About N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 8712853) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID8712853
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C18H16N4O2/c1-12-17(21-22(20-12)16-6-4-3-5-7-16)18(24)19-15-10-8-14(9-11-15)13(2)23/h3-11H,1-2H3,(H,19,24)
InChIKeyGVFYHICNKFSUPG-UHFFFAOYSA-N
XLogP3.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
ethyl 4-[4-methyl-5-(phenylcarbamoyl)triazol-2-yl]benzoate
CID 172704900
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
(4-acetylphenyl) 5-methyl-2-phenyltriazole-4-carboxylate
CID 8764080
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 3827368
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 8712853) is N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is GVFYHICNKFSUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-17(21-22(20-12)16-6-4-3-5-7-16)18(24)19-15-10-8-14(9-11-15)13(2)23/h3-11H,1-2H3,(H,19,24).
What are the key properties of N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 8712853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).