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

C19H19N5O — CID 71617341

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline
SMILESCOc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-8-14-10-17(25-3)15-6-4-5-7-16(15)21-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUCAZEKFQHOQZAC-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.08
Rot. Bonds4

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

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline (PubChem CID 71617341) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline
PubChem CID71617341
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline
SMILESCOc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-8-14-10-17(25-3)15-6-4-5-7-16(15)21-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUCAZEKFQHOQZAC-UHFFFAOYSA-N
XLogP3.08
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.08
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]-4-methoxyquinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline (CID 71617341) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline is COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccccc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline?
The InChIKey is UCAZEKFQHOQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-11-20-13(2)19-22-18(23-24(12)19)9-8-14-10-17(25-3)15-6-4-5-7-16(15)21-14/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]-4-methoxyquinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-4-methoxyquinoline has a molecular weight of 333.40 g/mol, XLogP of 3.08, 4 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]-4-methoxyquinoline is sourced from PubChem (CID 71617341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).