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

C15H19FN4S — CID 44966782

IUPAC7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCC(C)CCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C15H19FN4S/c1-11(2)7-10-21-15-18-17-14-19(8-9-20(14)15)13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWWQAIAPAAKFEAI-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.71
Rot. Bonds5

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

7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 44966782) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID44966782
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCC(C)CCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C15H19FN4S/c1-11(2)7-10-21-15-18-17-14-19(8-9-20(14)15)13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWWQAIAPAAKFEAI-UHFFFAOYSA-N
XLogP3.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 44966782) is 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CC(C)CCSc1nnc2n1CCN2c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is WWQAIAPAAKFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-11(2)7-10-21-15-18-17-14-19(8-9-20(14)15)13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 306.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 44966782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).