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

C13H15FN4S — CID 27532603

IUPAC7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCC(C)Sc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C13H15FN4S/c1-9(2)19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyGIBAEZXVTCYQEX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds3

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

7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 27532603) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID27532603
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCC(C)Sc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C13H15FN4S/c1-9(2)19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyGIBAEZXVTCYQEX-UHFFFAOYSA-N
XLogP3.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
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-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 27532603) is 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CC(C)Sc1nnc2n1CCN2c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is GIBAEZXVTCYQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-9(2)19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 278.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 27532603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).