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

C17H19N9 — CID 155975191

IUPAC3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cn2nc(N3CCN(c4ccc5nnc(C)n5n4)CC3)ccc2n1
InChIInChI=1S/C17H19N9/c1-12-11-25-14(18-12)3-5-16(21-25)23-7-9-24(10-8-23)17-6-4-15-20-19-13(2)26(15)22-17/h3-6,11H,7-10H2,1-2H3
InChIKeyYXGKMWQJFZGGRD-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.11
Rot. Bonds2

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

3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 155975191) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID155975191
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cn2nc(N3CCN(c4ccc5nnc(C)n5n4)CC3)ccc2n1
InChIInChI=1S/C17H19N9/c1-12-11-25-14(18-12)3-5-16(21-25)23-7-9-24(10-8-23)17-6-4-15-20-19-13(2)26(15)22-17/h3-6,11H,7-10H2,1-2H3
InChIKeyYXGKMWQJFZGGRD-UHFFFAOYSA-N
XLogP1.11
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 155975191) is 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cn2nc(N3CCN(c4ccc5nnc(C)n5n4)CC3)ccc2n1.
What is the InChIKey of 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YXGKMWQJFZGGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-12-11-25-14(18-12)3-5-16(21-25)23-7-9-24(10-8-23)17-6-4-15-20-19-13(2)26(15)22-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 349.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 155975191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).