5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide

C19H20N4O — CID 24825148

IUPAC5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-13(2)15-8-7-9-16(12-15)20-19(24)18-14(3)23(22-21-18)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,20,24)
InChIKeyZHZMJQYRNJWQBG-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.95
Rot. Bonds4

About 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide

5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 24825148) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID24825148
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-13(2)15-8-7-9-16(12-15)20-19(24)18-14(3)23(22-21-18)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,20,24)
InChIKeyZHZMJQYRNJWQBG-UHFFFAOYSA-N
XLogP3.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
1-(4-chloro-3-methylphenyl)-N-[3-(1-hydroxyethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 43845137
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
CID 71547193
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide (CID 24825148) is 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is ZHZMJQYRNJWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(2)15-8-7-9-16(12-15)20-19(24)18-14(3)23(22-21-18)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,20,24).
What are the key properties of 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide?
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 24825148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).