5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C18H14N6S — CID 129051788

IUPAC5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccs5)[nH]c4c3)nc12
InChIInChI=1S/C18H14N6S/c1-10-9-19-11(2)18-22-16(23-24(10)18)12-5-6-13-14(8-12)21-17(20-13)15-4-3-7-25-15/h3-9H,1-2H3,(H,20,21)
InChIKeyIQLOGUSBOICIPD-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.01
Rot. Bonds2

About 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129051788) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129051788
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccs5)[nH]c4c3)nc12
InChIInChI=1S/C18H14N6S/c1-10-9-19-11(2)18-22-16(23-24(10)18)12-5-6-13-14(8-12)21-17(20-13)15-4-3-7-25-15/h3-9H,1-2H3,(H,20,21)
InChIKeyIQLOGUSBOICIPD-UHFFFAOYSA-N
XLogP4.01
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 129051788) is 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3ccc4nc(-c5cccs5)[nH]c4c3)nc12.
What is the InChIKey of 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is IQLOGUSBOICIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S/c1-10-9-19-11(2)18-22-16(23-24(10)18)12-5-6-13-14(8-12)21-17(20-13)15-4-3-7-25-15/h3-9H,1-2H3,(H,20,21).
What are the key properties of 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 346.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129051788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).