1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

C19H20N4O2 — CID 122172345

IUPAC1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncn(CC(O)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c24-17(16-9-5-2-6-10-16)13-23-14-21-18(22-23)19(25)20-12-11-15-7-3-1-4-8-15/h1-10,14,17,24H,11-13H2,(H,20,25)
InChIKeyVFSRTWIBEQWHSJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.98
Rot. Bonds7

About 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 122172345) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID122172345
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncn(CC(O)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c24-17(16-9-5-2-6-10-16)13-23-14-21-18(22-23)19(25)20-12-11-15-7-3-1-4-8-15/h1-10,14,17,24H,11-13H2,(H,20,25)
InChIKeyVFSRTWIBEQWHSJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
methyl 1-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 109412221
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
CID 139880412
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
CID 6974189

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 122172345) is 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is O=C(NCCc1ccccc1)c1ncn(CC(O)c2ccccc2)n1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VFSRTWIBEQWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(16-9-5-2-6-10-16)13-23-14-21-18(22-23)19(25)20-12-11-15-7-3-1-4-8-15/h1-10,14,17,24H,11-13H2,(H,20,25).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.98, 7 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-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 122172345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).