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

C14H17FN4S — CID 18570026

IUPAC3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCC(C)Sc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C14H17FN4S/c1-3-10(2)20-14-17-16-13-18(8-9-19(13)14)12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQFAGKVOYVZECCA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.46
Rot. Bonds4

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

3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 18570026) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID18570026
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCCC(C)Sc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C14H17FN4S/c1-3-10(2)20-14-17-16-13-18(8-9-19(13)14)12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQFAGKVOYVZECCA-UHFFFAOYSA-N
XLogP3.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 18570026) is 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CCC(C)Sc1nnc2n1CCN2c1ccc(F)cc1.
What is the InChIKey of 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is QFAGKVOYVZECCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c1-3-10(2)20-14-17-16-13-18(8-9-19(13)14)12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 292.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 18570026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).