6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline

C19H17N5O2 — CID 71617343

IUPAC6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCO5)nc12
InChIInChI=1S/C19H17N5O2/c1-11-9-20-12(2)19-22-18(23-24(11)19)6-5-14-4-3-13-7-16-17(26-10-25-16)8-15(13)21-14/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyOBKFPUPSZAQTJF-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.80
Rot. Bonds3

About 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline

6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 71617343) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline
PubChem CID71617343
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCO5)nc12
InChIInChI=1S/C19H17N5O2/c1-11-9-20-12(2)19-22-18(23-24(11)19)6-5-14-4-3-13-7-16-17(26-10-25-16)8-15(13)21-14/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyOBKFPUPSZAQTJF-UHFFFAOYSA-N
XLogP2.80
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline (CID 71617343) is 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline is Cc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCO5)nc12.
What is the InChIKey of 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is OBKFPUPSZAQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-9-20-12(2)19-22-18(23-24(11)19)6-5-14-4-3-13-7-16-17(26-10-25-16)8-15(13)21-14/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline?
6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 347.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 71617343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).