5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide

C20H16N4O — CID 3053676

IUPAC5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1cccc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-19(20(25)21-16-10-3-2-4-11-16)22-23-24(14)18-13-7-9-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,21,25)
InChIKeySQZQDLLEACUBPC-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.98
Rot. Bonds3

About 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide

5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide (PubChem CID 3053676) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
PubChem CID3053676
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1cccc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-19(20(25)21-16-10-3-2-4-11-16)22-23-24(14)18-13-7-9-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,21,25)
InChIKeySQZQDLLEACUBPC-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86901378
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-(2-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)triazole-4-carboxamide
CID 22516280
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375578
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 10455096
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide (CID 3053676) is 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)nnn1-c1cccc2ccccc12.
What is the InChIKey of 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide?
The InChIKey is SQZQDLLEACUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-19(20(25)21-16-10-3-2-4-11-16)22-23-24(14)18-13-7-9-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,21,25).
What are the key properties of 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide?
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 3053676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).