N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide

C22H18N4O — CID 16651444

IUPACN-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O/c1-16-9-8-12-18(15-16)23-22(27)20-21(17-10-4-2-5-11-17)26(25-24-20)19-13-6-3-7-14-19/h2-15H,1H3,(H,23,27)
InChIKeyUUCFTGMPWYICFY-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.50
Rot. Bonds4

About N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide

N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide (PubChem CID 16651444) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
PubChem CID16651444
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O/c1-16-9-8-12-18(15-16)23-22(27)20-21(17-10-4-2-5-11-17)26(25-24-20)19-13-6-3-7-14-19/h2-15H,1H3,(H,23,27)
InChIKeyUUCFTGMPWYICFY-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651449
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
CID 71547193
1-(3,5-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940424
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide (CID 16651444) is N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide is Cc1cccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The InChIKey is UUCFTGMPWYICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-9-8-12-18(15-16)23-22(27)20-21(17-10-4-2-5-11-17)26(25-24-20)19-13-6-3-7-14-19/h2-15H,1H3,(H,23,27).
What are the key properties of N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide?
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 16651444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).