3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C12H13FN4S — CID 18570023

IUPAC3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C12H13FN4S/c1-2-18-12-15-14-11-16(7-8-17(11)12)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyLXRARSWOEGBPHT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.68
Rot. Bonds3

About 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 18570023) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID18570023
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C12H13FN4S/c1-2-18-12-15-14-11-16(7-8-17(11)12)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyLXRARSWOEGBPHT-UHFFFAOYSA-N
XLogP2.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 18570023) is 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CCSc1nnc2n1CCN2c1ccc(F)cc1.
What is the InChIKey of 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is LXRARSWOEGBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c1-2-18-12-15-14-11-16(7-8-17(11)12)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 264.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 18570023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).