7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

C20H19N5O2 — CID 71586730

IUPAC7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCCO5)nc12
InChIInChI=1S/C20H19N5O2/c1-12-11-21-13(2)20-23-19(24-25(12)20)6-5-15-4-3-14-9-17-18(10-16(14)22-15)27-8-7-26-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMOIMSOJRAIPJMQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.85
Rot. Bonds3

About 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (PubChem CID 71586730) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.

Molecular Properties

Compound Name7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
PubChem CID71586730
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCCO5)nc12
InChIInChI=1S/C20H19N5O2/c1-12-11-21-13(2)20-23-19(24-25(12)20)6-5-15-4-3-14-9-17-18(10-16(14)22-15)27-8-7-26-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMOIMSOJRAIPJMQ-UHFFFAOYSA-N
XLogP2.85
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The IUPAC name of 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (CID 71586730) is 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
What is the SMILES notation for 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The canonical SMILES for 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is Cc1ncc(C)n2nc(CCc3ccc4cc5c(cc4n3)OCCO5)nc12.
What is the InChIKey of 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The InChIKey is MOIMSOJRAIPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-11-21-13(2)20-23-19(24-25(12)20)6-5-15-4-3-14-9-17-18(10-16(14)22-15)27-8-7-26-17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline has a molecular weight of 361.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is sourced from PubChem (CID 71586730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).