3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole

C10H8ClN3O2 — CID 63384779

IUPAC3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole
SMILESClc1nncn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H8ClN3O2/c11-10-13-12-6-14(10)7-1-2-8-9(5-7)16-4-3-15-8/h1-2,5-6H,3-4H2
InChIKeySWGFZOIBFSYKGE-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.69
Rot. Bonds1

About 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole

3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole (PubChem CID 63384779) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole
PubChem CID63384779
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole
SMILESClc1nncn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H8ClN3O2/c11-10-13-12-6-14(10)7-1-2-8-9(5-7)16-4-3-15-8/h1-2,5-6H,3-4H2
InChIKeySWGFZOIBFSYKGE-UHFFFAOYSA-N
XLogP1.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-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-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole (CID 63384779) is 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole is Clc1nncn1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole?
The InChIKey is SWGFZOIBFSYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-10-13-12-6-14(10)7-1-2-8-9(5-7)16-4-3-15-8/h1-2,5-6H,3-4H2.
What are the key properties of 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole?
3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole has a molecular weight of 237.65 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole is sourced from PubChem (CID 63384779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).