1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole

C9H6Cl2FN3O — CID 57094903

IUPAC1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole
SMILESCOc1nc(F)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H6Cl2FN3O/c1-16-9-13-8(12)14-15(9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyUFVRZDVJTHGRCQ-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.72
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole

1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole (PubChem CID 57094903) has the molecular formula C9H6Cl2FN3O and a molecular weight of 262.07 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole
PubChem CID57094903
Molecular FormulaC9H6Cl2FN3O
Molecular Weight262.07 g/mol
Exact Mass260.99
IUPAC Name1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole
SMILESCOc1nc(F)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H6Cl2FN3O/c1-16-9-13-8(12)14-15(9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyUFVRZDVJTHGRCQ-UHFFFAOYSA-N
XLogP2.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole (CID 57094903) is 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole is COc1nc(F)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole?
The InChIKey is UFVRZDVJTHGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN3O/c1-16-9-13-8(12)14-15(9)7-5(10)3-2-4-6(7)11/h2-4H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole?
1-(2,6-dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole has a molecular weight of 262.07 g/mol, XLogP of 2.72, 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)-3-fluoro-5-methoxy-1,2,4-triazole is sourced from PubChem (CID 57094903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).