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

C13H13FN4S — CID 18570028

IUPAC7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESC=CCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C13H13FN4S/c1-2-9-19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h2-6H,1,7-9H2
InChIKeyHPKZICZYFWZEHV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.85
Rot. Bonds4

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

7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 18570028) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID18570028
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESC=CCSc1nnc2n1CCN2c1ccc(F)cc1
InChIInChI=1S/C13H13FN4S/c1-2-9-19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h2-6H,1,7-9H2
InChIKeyHPKZICZYFWZEHV-UHFFFAOYSA-N
XLogP2.85
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 18570028) is 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is C=CCSc1nnc2n1CCN2c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is HPKZICZYFWZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-2-9-19-13-16-15-12-17(7-8-18(12)13)11-5-3-10(14)4-6-11/h2-6H,1,7-9H2.
What are the key properties of 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 276.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-prop-2-enylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 18570028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).