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

C12H14N4S — CID 41160459

IUPAC7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCSc1nnc2n1CCN2c1ccc(C)cc1
InChIInChI=1S/C12H14N4S/c1-9-3-5-10(6-4-9)15-7-8-16-11(15)13-14-12(16)17-2/h3-6H,7-8H2,1-2H3
InChIKeyJGBOVUOMHCSCKE-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.46
Rot. Bonds2

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

7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 41160459) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID41160459
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCSc1nnc2n1CCN2c1ccc(C)cc1
InChIInChI=1S/C12H14N4S/c1-9-3-5-10(6-4-9)15-7-8-16-11(15)13-14-12(16)17-2/h3-6H,7-8H2,1-2H3
InChIKeyJGBOVUOMHCSCKE-UHFFFAOYSA-N
XLogP2.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methylphenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160462
7-(4-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160484
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-phenylethanone
CID 41160498
7-(4-ethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 27652772
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
CID 41160374
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
CID 27505419
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41160338
7-(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160483
N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160346
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 41160312
N-(2-methoxyphenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160326
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 41160341

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 41160459) is 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is CSc1nnc2n1CCN2c1ccc(C)cc1.
What is the InChIKey of 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is JGBOVUOMHCSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9-3-5-10(6-4-9)15-7-8-16-11(15)13-14-12(16)17-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 246.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 41160459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).