2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline

C18H17N5 — CID 70096666

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline
SMILESCc1cnc(C)n2nc(CCc3ccc4ccccc4n3)nc12
InChIInChI=1S/C18H17N5/c1-12-11-19-13(2)23-18(12)21-17(22-23)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
InChIKeyZESLDHFKVCAPTK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline (PubChem CID 70096666) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline
PubChem CID70096666
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline
SMILESCc1cnc(C)n2nc(CCc3ccc4ccccc4n3)nc12
InChIInChI=1S/C18H17N5/c1-12-11-19-13(2)23-18(12)21-17(22-23)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3
InChIKeyZESLDHFKVCAPTK-UHFFFAOYSA-N
XLogP3.07
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline (CID 70096666) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline is Cc1cnc(C)n2nc(CCc3ccc4ccccc4n3)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline?
The InChIKey is ZESLDHFKVCAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-11-19-13(2)23-18(12)21-17(22-23)10-9-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline has a molecular weight of 303.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]quinoline is sourced from PubChem (CID 70096666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).