1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one

C16H12ClN3O2 — CID 10403335

IUPAC1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one
SMILESCC12N=NN(c3cccc(Cl)c3)C1(O)c1ccccc1C2=O
InChIInChI=1S/C16H12ClN3O2/c1-15-14(21)12-7-2-3-8-13(12)16(15,22)20(19-18-15)11-6-4-5-10(17)9-11/h2-9,22H,1H3
InChIKeyWCWCJLIDAWNZLG-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.33
Rot. Bonds1

About 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one

1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one (PubChem CID 10403335) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one
PubChem CID10403335
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one
SMILESCC12N=NN(c3cccc(Cl)c3)C1(O)c1ccccc1C2=O
InChIInChI=1S/C16H12ClN3O2/c1-15-14(21)12-7-2-3-8-13(12)16(15,22)20(19-18-15)11-6-4-5-10(17)9-11/h2-9,22H,1H3
InChIKeyWCWCJLIDAWNZLG-UHFFFAOYSA-N
XLogP3.33
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-2,2,3,3-tetramethylindole
CID 166015344
(3aR,8bR)-3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazole-2,4-dione
CID 746721
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one
CID 13339457
(3R)-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 25342854
1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
CID 161144406
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CID 14209559
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
ethyl (5S)-4-(3-chlorophenyl)-3',3'-bis(4-ethylphenyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-carboxylate
CID 124530305

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one?
The IUPAC name of 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one (CID 10403335) is 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one is CC12N=NN(c3cccc(Cl)c3)C1(O)c1ccccc1C2=O.
What is the InChIKey of 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one?
The InChIKey is WCWCJLIDAWNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-15-14(21)12-7-2-3-8-13(12)16(15,22)20(19-18-15)11-6-4-5-10(17)9-11/h2-9,22H,1H3.
What are the key properties of 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one?
1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one has a molecular weight of 313.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one is sourced from PubChem (CID 10403335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).