6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol

C15H10ClN3O — CID 24973842

IUPAC6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol
SMILESOC1(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21
InChIInChI=1S/C15H10ClN3O/c16-11-6-7-13-12(8-11)15(20,10-4-2-1-3-5-10)14-18-17-9-19(13)14/h1-9,20H
InChIKeyGMXPEZMIJRBPLK-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol

6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol (PubChem CID 24973842) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol.

Molecular Properties

Compound Name6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol
PubChem CID24973842
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol
SMILESOC1(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21
InChIInChI=1S/C15H10ClN3O/c16-11-6-7-13-12(8-11)15(20,10-4-2-1-3-5-10)14-18-17-9-19(13)14/h1-9,20H
InChIKeyGMXPEZMIJRBPLK-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14357887
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CID 4637481
3,6-dichloro-9-phenylxanthen-9-ol
CID 159187937
3-chloro-5,12,12-triphenyltetracen-5-ol
CID 163521956
(9R)-3-chloro-9-phenylxanthen-9-ol
CID 92531993
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
1-[3-chloro-8-(iodomethyl)-8-phenyl-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]ethanone
CID 102466798
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
9-chloro-11-(2-chlorophenyl)-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]indol-11-ol
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9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol
CID 142598749
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
CID 162416316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol?
The IUPAC name of 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol (CID 24973842) is 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol.
What is the SMILES notation for 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol?
The canonical SMILES for 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol is OC1(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21.
What is the InChIKey of 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol?
The InChIKey is GMXPEZMIJRBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-11-6-7-13-12(8-11)15(20,10-4-2-1-3-5-10)14-18-17-9-19(13)14/h1-9,20H.
What are the key properties of 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol?
6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol has a molecular weight of 283.72 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol is sourced from PubChem (CID 24973842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).