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

C17H15BrN4O2 — CID 71791915

IUPACN-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C17H15BrN4O2/c18-13-8-4-5-9-14(13)19-17(24)15-10-22(21-20-15)11-16(23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,19,24)
InChIKeyGUCAZZMDCRLZCG-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.03
Rot. Bonds5

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

N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide (PubChem CID 71791915) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide
PubChem CID71791915
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C17H15BrN4O2/c18-13-8-4-5-9-14(13)19-17(24)15-10-22(21-20-15)11-16(23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,19,24)
InChIKeyGUCAZZMDCRLZCG-UHFFFAOYSA-N
XLogP3.03
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide (CID 71791915) is N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide is O=C(Nc1ccccc1Br)c1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide?
The InChIKey is GUCAZZMDCRLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-13-8-4-5-9-14(13)19-17(24)15-10-22(21-20-15)11-16(23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,19,24).
What are the key properties of N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide?
N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 71791915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).