1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide

C23H20N4O3 — CID 55667186

IUPAC1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)c1
InChIInChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-9-7-12-20(15-18)29-2)23(28)24-17-8-6-13-21(14-17)30-19-10-4-3-5-11-19/h3-15H,1-2H3,(H,24,28)
InChIKeyBBYNWGTYJZTIID-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.63
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide (PubChem CID 55667186) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
PubChem CID55667186
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)c1
InChIInChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-9-7-12-20(15-18)29-2)23(28)24-17-8-6-13-21(14-17)30-19-10-4-3-5-11-19/h3-15H,1-2H3,(H,24,28)
InChIKeyBBYNWGTYJZTIID-UHFFFAOYSA-N
XLogP4.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
CID 55989961
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide (CID 55667186) is 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)Nc3cccc(Oc4ccccc4)c3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
The InChIKey is BBYNWGTYJZTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-22(25-26-27(16)18-9-7-12-20(15-18)29-2)23(28)24-17-8-6-13-21(14-17)30-19-10-4-3-5-11-19/h3-15H,1-2H3,(H,24,28).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55667186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).