1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide

C24H22N4O2 — CID 42602961

IUPAC1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)nnn1Cc1ccccc1
InChIInChI=1S/C24H22N4O2/c1-18-23(26-27-28(18)16-19-8-4-2-5-9-19)24(29)25-21-12-14-22(15-13-21)30-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyOITNSHWMHMJOLK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.47
Rot. Bonds7

About 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide

1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide (PubChem CID 42602961) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
PubChem CID42602961
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)nnn1Cc1ccccc1
InChIInChI=1S/C24H22N4O2/c1-18-23(26-27-28(18)16-19-8-4-2-5-9-19)24(29)25-21-12-14-22(15-13-21)30-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyOITNSHWMHMJOLK-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)methyl]-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602924
4-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]phthalic acid
CID 67381998
5-methyl-N-[4-(3-methylbutoxy)phenyl]-1-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 42602928
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124
1-[(2-hydroxyphenyl)methyl]-5-methyl-N-phenyltriazole-4-carboxamide
CID 25147853
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937
1-(2-anilino-2-oxoethyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 75528046
1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603008
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
1-benzyl-N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-methyltriazole-4-carboxamide
CID 126421350
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
1-[(3,5-dichlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603167

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide (CID 42602961) is 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide?
The InChIKey is OITNSHWMHMJOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-18-23(26-27-28(18)16-19-8-4-2-5-9-19)24(29)25-21-12-14-22(15-13-21)30-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,29).
What are the key properties of 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide?
1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 42602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).