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

C16H16N6S — CID 71450204

IUPAC5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H16N6S/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyMQTYGQLGNQWMJT-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.98
Rot. Bonds4

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

5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 71450204) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID71450204
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H16N6S/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyMQTYGQLGNQWMJT-UHFFFAOYSA-N
XLogP2.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.98
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-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 71450204) is 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is MQTYGQLGNQWMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 324.41 g/mol, XLogP of 2.98, 4 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-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 71450204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).