1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O2 — CID 127046484

IUPAC1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H19ClN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyYFTLTLFFXNAJKG-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 127046484) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID127046484
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H19ClN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyYFTLTLFFXNAJKG-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649239
(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 171352643
1-(3-chloro-4-fluorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16017179
1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 7246370
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 7470748
N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649511
N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 127046485
N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127048076
1-(3-chloro-2-methylphenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 127048077

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide (CID 127046484) is 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide is CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YFTLTLFFXNAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25).
What are the key properties of 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-ethoxy-6-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 127046484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).