1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide

C20H22N4O — CID 53332726

IUPAC1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(-c3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O/c1-3-15-5-7-17(8-6-15)13-21-20(25)19-14-24(23-22-19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,25)
InChIKeyZHNWVAJWCHDKSI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide

1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide (PubChem CID 53332726) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
PubChem CID53332726
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(-c3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O/c1-3-15-5-7-17(8-6-15)13-21-20(25)19-14-24(23-22-19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,25)
InChIKeyZHNWVAJWCHDKSI-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015529
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide (CID 53332726) is 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide is CCc1ccc(CNC(=O)c2cn(-c3ccc(CC)cc3)nn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is ZHNWVAJWCHDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-15-5-7-17(8-6-15)13-21-20(25)19-14-24(23-22-19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide?
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 53332726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).