6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline

C17H15N5 — CID 24967301

IUPAC6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESCc1ccc2nnc(C(C)c3ccc4ncccc4c3)n2n1
InChIInChI=1S/C17H15N5/c1-11-5-8-16-19-20-17(22(16)21-11)12(2)13-6-7-15-14(10-13)4-3-9-18-15/h3-10,12H,1-2H3
InChIKeyWFHIEDKHFIJEOO-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.13
Rot. Bonds2

About 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline

6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (PubChem CID 24967301) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
PubChem CID24967301
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESCc1ccc2nnc(C(C)c3ccc4ncccc4c3)n2n1
InChIInChI=1S/C17H15N5/c1-11-5-8-16-19-20-17(22(16)21-11)12(2)13-6-7-15-14(10-13)4-3-9-18-15/h3-10,12H,1-2H3
InChIKeyWFHIEDKHFIJEOO-UHFFFAOYSA-N
XLogP3.13
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine
CID 143585984
N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71148156
4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine
CID 71148109
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
CID 59320374
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
5-[8-fluoro-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
CID 68929641
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
CID 58329222

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The IUPAC name of 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (CID 24967301) is 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The canonical SMILES for 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is Cc1ccc2nnc(C(C)c3ccc4ncccc4c3)n2n1.
What is the InChIKey of 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The InChIKey is WFHIEDKHFIJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-5-8-16-19-20-17(22(16)21-11)12(2)13-6-7-15-14(10-13)4-3-9-18-15/h3-10,12H,1-2H3.
What are the key properties of 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline has a molecular weight of 289.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 24967301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).