5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide

C19H20N4O2 — CID 23608005

IUPAC5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(CO)c(C(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-8-10-16(11-9-13)23-21-17(12-24)18(22-23)19(25)20-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3,(H,20,25)
InChIKeySWKJPISKJRALJN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds5

About 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide

5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide (PubChem CID 23608005) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide
PubChem CID23608005
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(CO)c(C(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-8-10-16(11-9-13)23-21-17(12-24)18(22-23)19(25)20-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3,(H,20,25)
InChIKeySWKJPISKJRALJN-UHFFFAOYSA-N
XLogP2.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-(hydroxymethyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 92717279
5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
CID 43007778
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 42948366
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
CID 23608131
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 93159680
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
2-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)triazole-4-carboxamide
CID 46262752
5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide (CID 23608005) is 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide is Cc1ccc(-n2nc(CO)c(C(=O)NC(C)c3ccccc3)n2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The InChIKey is SWKJPISKJRALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-8-10-16(11-9-13)23-21-17(12-24)18(22-23)19(25)20-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3,(H,20,25).
What are the key properties of 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide?
5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 23608005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).