1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide

C19H20N4O2 — CID 71791906

IUPAC1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CC(O)c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14(15-8-4-2-5-9-15)20-19(25)17-12-23(22-21-17)13-18(24)16-10-6-3-7-11-16/h2-12,14,18,24H,13H2,1H3,(H,20,25)
InChIKeyXRVYPBCYJLTJTQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.50
Rot. Bonds6

About 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide

1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide (PubChem CID 71791906) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide
PubChem CID71791906
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CC(O)c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14(15-8-4-2-5-9-15)20-19(25)17-12-23(22-21-17)13-18(24)16-10-6-3-7-11-16/h2-12,14,18,24H,13H2,1H3,(H,20,25)
InChIKeyXRVYPBCYJLTJTQ-UHFFFAOYSA-N
XLogP2.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide (CID 71791906) is 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide is CC(NC(=O)c1cn(CC(O)c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide?
The InChIKey is XRVYPBCYJLTJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(15-8-4-2-5-9-15)20-19(25)17-12-23(22-21-17)13-18(24)16-10-6-3-7-11-16/h2-12,14,18,24H,13H2,1H3,(H,20,25).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide?
1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-N-(1-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 71791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).