N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

C23H18N4O3 — CID 177373845

IUPACN-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(O)cc1
InChIInChI=1S/C23H18N4O3/c28-19-13-11-18(12-14-19)24-20(29)15-27-23(30)25-21(16-7-3-1-4-8-16)22(26-27)17-9-5-2-6-10-17/h1-14,28H,15H2,(H,24,29)
InChIKeyHDTBYABTJXGAHX-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.32
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373845) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373845
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(O)cc1
InChIInChI=1S/C23H18N4O3/c28-19-13-11-18(12-14-19)24-20(29)15-27-23(30)25-21(16-7-3-1-4-8-16)22(26-27)17-9-5-2-6-10-17/h1-14,28H,15H2,(H,24,29)
InChIKeyHDTBYABTJXGAHX-UHFFFAOYSA-N
XLogP3.32
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
CID 23608927
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 20952229
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
4-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]benzamide
CID 16905883
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
N-(4-acetamidophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 53156670
N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1068920
methyl 8-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)octanoate
CID 15125646
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46506811
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373845) is N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is HDTBYABTJXGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-19-13-11-18(12-14-19)24-20(29)15-27-23(30)25-21(16-7-3-1-4-8-16)22(26-27)17-9-5-2-6-10-17/h1-14,28H,15H2,(H,24,29).
What are the key properties of N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).