2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

C19H26N10O — CID 165434332

IUPAC2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)CC1
InChIInChI=1S/C19H26N10O/c30-14-13-25-5-7-26(8-6-25)16-1-2-17(23-22-16)27-9-11-28(12-10-27)19-4-3-18-21-20-15-29(18)24-19/h1-4,15,30H,5-14H2
InChIKeyZRUOYLVYCWXLNW-UHFFFAOYSA-N
MW410.49 g/mol
LogP-0.64
Rot. Bonds5

About 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 165434332) has the molecular formula C19H26N10O and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID165434332
Molecular FormulaC19H26N10O
Molecular Weight410.49 g/mol
Exact Mass410.23
IUPAC Name2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)CC1
InChIInChI=1S/C19H26N10O/c30-14-13-25-5-7-26(8-6-25)16-1-2-17(23-22-16)27-9-11-28(12-10-27)19-4-3-18-21-20-15-29(18)24-19/h1-4,15,30H,5-14H2
InChIKeyZRUOYLVYCWXLNW-UHFFFAOYSA-N
XLogP-0.64
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (CID 165434332) is 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)CC1.
What is the InChIKey of 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is ZRUOYLVYCWXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N10O/c30-14-13-25-5-7-26(8-6-25)16-1-2-17(23-22-16)27-9-11-28(12-10-27)19-4-3-18-21-20-15-29(18)24-19/h1-4,15,30H,5-14H2.
What are the key properties of 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 410.49 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 165434332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).