1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole

C9H7Cl2N3O — CID 54246679

IUPAC1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
SMILESCOc1ncnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3
InChIKeyQTTDLOBBOVHMFH-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole

1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole (PubChem CID 54246679) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
PubChem CID54246679
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
SMILESCOc1ncnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3
InChIKeyQTTDLOBBOVHMFH-UHFFFAOYSA-N
XLogP2.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenyl)-5-methoxy-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 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole (CID 54246679) is 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole is COc1ncnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The InChIKey is QTTDLOBBOVHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole has a molecular weight of 244.08 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole is sourced from PubChem (CID 54246679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).