5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide

C18H18N4O2 — CID 15944215

IUPAC5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-3-16-17(20-21-22(16)14-9-5-4-6-10-14)18(23)19-13-8-7-11-15(12-13)24-2/h4-12H,3H2,1-2H3,(H,19,23)
InChIKeyTUHPACJMQHUINT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.09
Rot. Bonds5

About 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide

5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 15944215) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
PubChem CID15944215
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-3-16-17(20-21-22(16)14-9-5-4-6-10-14)18(23)19-13-8-7-11-15(12-13)24-2/h4-12H,3H2,1-2H3,(H,19,23)
InChIKeyTUHPACJMQHUINT-UHFFFAOYSA-N
XLogP3.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide (CID 15944215) is 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is TUHPACJMQHUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-16-17(20-21-22(16)14-9-5-4-6-10-14)18(23)19-13-8-7-11-15(12-13)24-2/h4-12H,3H2,1-2H3,(H,19,23).
What are the key properties of 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide?
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 15944215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).