2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone

C16H14N4O2 — CID 175927123

IUPAC2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
SMILESNc1ccc(-c2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C16H14N4O2/c17-13-5-1-11(2-6-13)15-9-20(19-18-15)10-16(22)12-3-7-14(21)8-4-12/h1-9,21H,10,17H2
InChIKeyYYEQJUZCDRICMU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone

2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone (PubChem CID 175927123) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
PubChem CID175927123
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
SMILESNc1ccc(-c2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C16H14N4O2/c17-13-5-1-11(2-6-13)15-9-20(19-18-15)10-16(22)12-3-7-14(21)8-4-12/h1-9,21H,10,17H2
InChIKeyYYEQJUZCDRICMU-UHFFFAOYSA-N
XLogP2.12
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-hydroxyphenyl)triazol-1-yl]-1-phenylethanone
CID 175449434
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
CID 175449411
2-[4-(4-hydroxyphenyl)triazol-1-yl]acetic acid
CID 86117889
1-(4-bromophenyl)-2-[4-(4-methylphenyl)triazol-1-yl]ethanone
CID 53319965
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
2-[4-[4-(1-adamantyl)phenyl]triazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 175927118
4-[1-(4-hydroxyphenyl)triazol-4-yl]benzoic acid
CID 82367374
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
CID 172988377
ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]triazole-4-carboxylate
CID 122241517
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone (CID 175927123) is 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone is Nc1ccc(-c2cn(CC(=O)c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is YYEQJUZCDRICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-13-5-1-11(2-6-13)15-9-20(19-18-15)10-16(22)12-3-7-14(21)8-4-12/h1-9,21H,10,17H2.
What are the key properties of 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone?
2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 294.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)triazol-1-yl]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 175927123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).