5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one

C16H14N4O — CID 123909076

IUPAC5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3CN(c4ccccc4)N=N3)ccc2N1
InChIInChI=1S/C16H14N4O/c21-16-9-12-8-11(6-7-14(12)17-16)15-10-20(19-18-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2,(H,17,21)
InChIKeyPDOVEKOBVQTJRW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.11
Rot. Bonds2

About 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one

5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one (PubChem CID 123909076) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one
PubChem CID123909076
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3CN(c4ccccc4)N=N3)ccc2N1
InChIInChI=1S/C16H14N4O/c21-16-9-12-8-11(6-7-14(12)17-16)15-10-20(19-18-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2,(H,17,21)
InChIKeyPDOVEKOBVQTJRW-UHFFFAOYSA-N
XLogP3.11
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
CID 82289120
5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
CID 116980989
1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
CID 117099453
bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))
CID 158929871
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
CID 82290766
5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
CID 18179950
5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 168689136
1,3-dihydroindol-2-one;ethane
CID 54350510

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one (CID 123909076) is 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C3CN(c4ccccc4)N=N3)ccc2N1.
What is the InChIKey of 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is PDOVEKOBVQTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16-9-12-8-11(6-7-14(12)17-16)15-10-20(19-18-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2,(H,17,21).
What are the key properties of 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one?
5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 123909076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).