3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole

C17H13Cl2N3 — CID 16679595

IUPAC3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole
SMILESClc1cccc(-c2nncn2[C@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m0/s1
InChIKeyBFQHGADJAGFRFX-HNNXBMFYSA-N
MW330.22 g/mol
LogP4.79
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole

3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole (PubChem CID 16679595) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole
PubChem CID16679595
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole
SMILESClc1cccc(-c2nncn2[C@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m0/s1
InChIKeyBFQHGADJAGFRFX-HNNXBMFYSA-N
XLogP4.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole (CID 16679595) is 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole is Clc1cccc(-c2nncn2[C@H]2CCc3ccccc32)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole?
The InChIKey is BFQHGADJAGFRFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m0/s1.
What are the key properties of 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole?
3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole has a molecular weight of 330.22 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole is sourced from PubChem (CID 16679595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).