3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one

C17H14N4O2 — CID 155092280

IUPAC3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
SMILESO=C1N(Cc2cn[nH]n2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C17H14N4O2/c22-16-17(23,12-6-2-1-3-7-12)14-8-4-5-9-15(14)21(16)11-13-10-18-20-19-13/h1-10,23H,11H2,(H,18,19,20)
InChIKeyNKQSGVBMRHXZOF-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.59
Rot. Bonds3

About 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one

3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one (PubChem CID 155092280) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
PubChem CID155092280
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
SMILESO=C1N(Cc2cn[nH]n2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C17H14N4O2/c22-16-17(23,12-6-2-1-3-7-12)14-8-4-5-9-15(14)21(16)11-13-10-18-20-19-13/h1-10,23H,11H2,(H,18,19,20)
InChIKeyNKQSGVBMRHXZOF-UHFFFAOYSA-N
XLogP1.59
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238
N-(4-bromophenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095563
2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095278
3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095371
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
CID 95095417
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one (CID 155092280) is 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one is O=C1N(Cc2cn[nH]n2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one?
The InChIKey is NKQSGVBMRHXZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16-17(23,12-6-2-1-3-7-12)14-8-4-5-9-15(14)21(16)11-13-10-18-20-19-13/h1-10,23H,11H2,(H,18,19,20).
What are the key properties of 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one?
3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one has a molecular weight of 306.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one is sourced from PubChem (CID 155092280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).