6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C19H20N8 — CID 59341953

IUPAC6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCN1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1
InChIInChI=1S/C19H20N8/c1-25-7-9-26(10-8-25)17-12-21-18-19(22-17)27(24-23-18)13-14-4-5-16-15(11-14)3-2-6-20-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyYPNULYBRDBURME-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.57
Rot. Bonds3

About 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 59341953) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID59341953
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCN1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1
InChIInChI=1S/C19H20N8/c1-25-7-9-26(10-8-25)17-12-21-18-19(22-17)27(24-23-18)13-14-4-5-16-15(11-14)3-2-6-20-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyYPNULYBRDBURME-UHFFFAOYSA-N
XLogP1.57
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]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 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 59341953) is 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is CN1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1.
What is the InChIKey of 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is YPNULYBRDBURME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-25-7-9-26(10-8-25)17-12-21-18-19(22-17)27(24-23-18)13-14-4-5-16-15(11-14)3-2-6-20-16/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 360.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 59341953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).