N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C23H20N4O2 — CID 112771643

IUPACN-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O2/c28-20(17-10-4-1-5-11-17)16-24-23(29)21-25-22(18-12-6-2-7-13-18)27(26-21)19-14-8-3-9-15-19/h1-15,20,28H,16H2,(H,24,29)
InChIKeyRFLWNTHFCFCNCW-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.40
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 112771643) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID112771643
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O2/c28-20(17-10-4-1-5-11-17)16-24-23(29)21-25-22(18-12-6-2-7-13-18)27(26-21)19-14-8-3-9-15-19/h1-15,20,28H,16H2,(H,24,29)
InChIKeyRFLWNTHFCFCNCW-UHFFFAOYSA-N
XLogP3.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71240288
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112791039
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 112771643) is N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(NCC(O)c1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RFLWNTHFCFCNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-20(17-10-4-1-5-11-17)16-24-23(29)21-25-22(18-12-6-2-7-13-18)27(26-21)19-14-8-3-9-15-19/h1-15,20,28H,16H2,(H,24,29).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 112771643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).