2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline

C19H20N6 — CID 54755850

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline
SMILESCc1ccc2nc(CCc3nc4c(C)ncc(C)n4n3)cnc2c1C
InChIInChI=1S/C19H20N6/c1-11-5-7-16-18(13(11)3)21-10-15(22-16)6-8-17-23-19-14(4)20-9-12(2)25(19)24-17/h5,7,9-10H,6,8H2,1-4H3
InChIKeyDUCFFYGNJBJBGR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.09
Rot. Bonds3

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline (PubChem CID 54755850) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline
PubChem CID54755850
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline
SMILESCc1ccc2nc(CCc3nc4c(C)ncc(C)n4n3)cnc2c1C
InChIInChI=1S/C19H20N6/c1-11-5-7-16-18(13(11)3)21-10-15(22-16)6-8-17-23-19-14(4)20-9-12(2)25(19)24-17/h5,7,9-10H,6,8H2,1-4H3
InChIKeyDUCFFYGNJBJBGR-UHFFFAOYSA-N
XLogP3.09
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline (CID 54755850) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline is Cc1ccc2nc(CCc3nc4c(C)ncc(C)n4n3)cnc2c1C.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline?
The InChIKey is DUCFFYGNJBJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-11-5-7-16-18(13(11)3)21-10-15(22-16)6-8-17-23-19-14(4)20-9-12(2)25(19)24-17/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline has a molecular weight of 332.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline is sourced from PubChem (CID 54755850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).