7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one

C10H7ClN4OS — CID 15707933

IUPAC7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one
SMILESO=C1Cn2c(n[nH]c2=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4OS/c11-6-1-3-7(4-2-6)15-8(16)5-14-9(15)12-13-10(14)17/h1-4H,5H2,(H,13,17)
InChIKeyXFRIYZZJQOCUIJ-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.27
Rot. Bonds1

About 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one

7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one (PubChem CID 15707933) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one
PubChem CID15707933
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one
SMILESO=C1Cn2c(n[nH]c2=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4OS/c11-6-1-3-7(4-2-6)15-8(16)5-14-9(15)12-13-10(14)17/h1-4H,5H2,(H,13,17)
InChIKeyXFRIYZZJQOCUIJ-UHFFFAOYSA-N
XLogP2.27
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
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CID 51039183
3,4-bis(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
CID 789064
3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione
CID 54923928
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 885501
4-(3-chloro-4-fluorophenyl)-3-methyl-1H-1,2,4-triazole-5-thione
CID 17372453
4-amino-6-[(4-chlorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 10492168
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
CID 13194948
1-(4-chlorophenyl)-3-methylideneazetidin-2-one
CID 125478534
4-(4-chlorophenyl)-3-(2-cyclohexylethyl)-1H-1,2,4-triazole-5-thione
CID 57402360
2-(4-chlorophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 19166338

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one?
The IUPAC name of 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one (CID 15707933) is 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one.
What is the SMILES notation for 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one?
The canonical SMILES for 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one is O=C1Cn2c(n[nH]c2=S)N1c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one?
The InChIKey is XFRIYZZJQOCUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c11-6-1-3-7(4-2-6)15-8(16)5-14-9(15)12-13-10(14)17/h1-4H,5H2,(H,13,17).
What are the key properties of 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one?
7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one has a molecular weight of 266.71 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-sulfanylidene-2,5-dihydroimidazo[2,1-c][1,2,4]triazol-6-one is sourced from PubChem (CID 15707933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).