5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide

C19H20N4O2 — CID 166182550

IUPAC5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)OCc1ccc(NC(=O)c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)25-12-14-8-10-16(11-9-14)20-19(24)18-17(21-23-22-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyJBEKTLWZHDGUNU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.65
Rot. Bonds6

About 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide

5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 166182550) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID166182550
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)OCc1ccc(NC(=O)c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)25-12-14-8-10-16(11-9-14)20-19(24)18-17(21-23-22-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyJBEKTLWZHDGUNU-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
CID 166221920
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115610056
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119742858
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
CID 153390147
2-trimethylsilylethyl N-[4-[[4-(propan-2-yloxymethyl)phenyl]methyl]phenyl]carbamate
CID 69145954

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide (CID 166182550) is 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide is CC(C)OCc1ccc(NC(=O)c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is JBEKTLWZHDGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)25-12-14-8-10-16(11-9-14)20-19(24)18-17(21-23-22-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide?
5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 166182550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).