N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide

C17H16N4O2 — CID 9400525

IUPACN-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-15-9-7-13(8-10-15)11-18-17(22)16-12-19-21(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,22)
InChIKeyFFUKOACVHYSYKA-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.21
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 9400525) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
PubChem CID9400525
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-15-9-7-13(8-10-15)11-18-17(22)16-12-19-21(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,22)
InChIKeyFFUKOACVHYSYKA-UHFFFAOYSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide
CID 46456875
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 121033610
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122688
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
2-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]triazole-4-carboxamide
CID 71856711
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide (CID 9400525) is N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide is COc1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is FFUKOACVHYSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-15-9-7-13(8-10-15)11-18-17(22)16-12-19-21(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,18,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 9400525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).