1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

C19H20N4O2 — CID 53365318

IUPAC1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)c1
InChIInChI=1S/C19H20N4O2/c1-13-7-14(2)9-16(8-13)23-12-18(21-22-23)19(24)20-11-15-5-4-6-17(10-15)25-3/h4-10,12H,11H2,1-3H3,(H,20,24)
InChIKeyBJRLYYFLSXQADG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.82
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 53365318) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID53365318
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)c1
InChIInChI=1S/C19H20N4O2/c1-13-7-14(2)9-16(8-13)23-12-18(21-22-23)19(24)20-11-15-5-4-6-17(10-15)25-3/h4-10,12H,11H2,1-3H3,(H,20,24)
InChIKeyBJRLYYFLSXQADG-UHFFFAOYSA-N
XLogP2.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 136579455
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (CID 53365318) is 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is BJRLYYFLSXQADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-7-14(2)9-16(8-13)23-12-18(21-22-23)19(24)20-11-15-5-4-6-17(10-15)25-3/h4-10,12H,11H2,1-3H3,(H,20,24).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 53365318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).