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

C21H21N7 — CID 57414377

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline
SMILESCc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2cccnc12
InChIInChI=1S/C21H21N7/c1-12-10-16-20(15-6-5-9-22-19(12)15)25-18(27(16)4)8-7-17-24-21-14(3)23-11-13(2)28(21)26-17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHTVAKTYLTMZYFE-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.27
Rot. Bonds3

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

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline (PubChem CID 57414377) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline
PubChem CID57414377
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline
SMILESCc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2cccnc12
InChIInChI=1S/C21H21N7/c1-12-10-16-20(15-6-5-9-22-19(12)15)25-18(27(16)4)8-7-17-24-21-14(3)23-11-13(2)28(21)26-17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHTVAKTYLTMZYFE-UHFFFAOYSA-N
XLogP3.27
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.27
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]-3,5-dimethylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline (CID 57414377) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[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]-3,5-dimethylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline is Cc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2cccnc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline?
The InChIKey is HTVAKTYLTMZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-12-10-16-20(15-6-5-9-22-19(12)15)25-18(27(16)4)8-7-17-24-21-14(3)23-11-13(2)28(21)26-17/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline has a molecular weight of 371.45 g/mol, XLogP of 3.27, 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]-3,5-dimethylimidazo[4,5-f]quinoline is sourced from PubChem (CID 57414377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).