6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine

C20H14N4S2 — CID 46952094

IUPAC6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine
SMILESCc1ccc(-c2cn3nc(-c4cccs4)c(-c4cccs4)nc3n2)cc1
InChIInChI=1S/C20H14N4S2/c1-13-6-8-14(9-7-13)15-12-24-20(21-15)22-18(16-4-2-10-25-16)19(23-24)17-5-3-11-26-17/h2-12H,1H3
InChIKeyJBYQBQKLOJAPTB-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.56
Rot. Bonds3

About 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine

6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine (PubChem CID 46952094) has the molecular formula C20H14N4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine
PubChem CID46952094
Molecular FormulaC20H14N4S2
Molecular Weight374.49 g/mol
Exact Mass374.07
IUPAC Name6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine
SMILESCc1ccc(-c2cn3nc(-c4cccs4)c(-c4cccs4)nc3n2)cc1
InChIInChI=1S/C20H14N4S2/c1-13-6-8-14(9-7-13)15-12-24-20(21-15)22-18(16-4-2-10-25-16)19(23-24)17-5-3-11-26-17/h2-12H,1H3
InChIKeyJBYQBQKLOJAPTB-UHFFFAOYSA-N
XLogP5.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine (CID 46952094) is 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine is Cc1ccc(-c2cn3nc(-c4cccs4)c(-c4cccs4)nc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is JBYQBQKLOJAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S2/c1-13-6-8-14(9-7-13)15-12-24-20(21-15)22-18(16-4-2-10-25-16)19(23-24)17-5-3-11-26-17/h2-12H,1H3.
What are the key properties of 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine?
6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 374.49 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 46952094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).