2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

C20H19N7 — CID 57412063

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyBHYRFKDBQRBVEU-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.96
Rot. Bonds3

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 57412063) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID57412063
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyBHYRFKDBQRBVEU-UHFFFAOYSA-N
XLogP2.96
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 57412063) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cc1ncc(C)n2nc(CCc3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is BHYRFKDBQRBVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 357.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 57412063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).