1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole

C12H11FN6O — CID 67486291

IUPAC1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole
SMILESCn1ncnc1COc1cn(-c2ccccc2F)nn1
InChIInChI=1S/C12H11FN6O/c1-18-11(14-8-15-18)7-20-12-6-19(17-16-12)10-5-3-2-4-9(10)13/h2-6,8H,7H2,1H3
InChIKeyGUXWTWDNJSUPPS-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.11
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole

1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole (PubChem CID 67486291) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole
PubChem CID67486291
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole
SMILESCn1ncnc1COc1cn(-c2ccccc2F)nn1
InChIInChI=1S/C12H11FN6O/c1-18-11(14-8-15-18)7-20-12-6-19(17-16-12)10-5-3-2-4-9(10)13/h2-6,8H,7H2,1H3
InChIKeyGUXWTWDNJSUPPS-UHFFFAOYSA-N
XLogP1.11
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole?
The IUPAC name of 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole (CID 67486291) is 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole is Cn1ncnc1COc1cn(-c2ccccc2F)nn1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole?
The InChIKey is GUXWTWDNJSUPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-18-11(14-8-15-18)7-20-12-6-19(17-16-12)10-5-3-2-4-9(10)13/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole?
1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole has a molecular weight of 274.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]triazole is sourced from PubChem (CID 67486291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).