5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

C17H18N6S — CID 53250503

IUPAC5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyXVEMOPDPXXUFBY-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.99
Rot. Bonds4

About 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 53250503) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID53250503
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyXVEMOPDPXXUFBY-UHFFFAOYSA-N
XLogP2.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 53250503) is 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is XVEMOPDPXXUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 338.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 53250503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).