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

C16H13N5 — CID 141206075

IUPAC6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESCC(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C16H13N5/c1-11(16-20-19-15-5-3-9-18-21(15)16)12-6-7-14-13(10-12)4-2-8-17-14/h2-11H,1H3
InChIKeyQMXSPWYYXKOGIP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.82
Rot. Bonds2

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

6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (PubChem CID 141206075) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
PubChem CID141206075
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESCC(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C16H13N5/c1-11(16-20-19-15-5-3-9-18-21(15)16)12-6-7-14-13(10-12)4-2-8-17-14/h2-11H,1H3
InChIKeyQMXSPWYYXKOGIP-UHFFFAOYSA-N
XLogP2.82
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 24967301
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
6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 122662910
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
6-(1-nitrosoethyl)quinoline
CID 54028651
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-[(1S)-1-quinolin-6-ylethyl]benzamide
CID 176877599
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
N-ethyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 103294075

Frequently Asked Questions

What is the IUPAC name of 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The IUPAC name of 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (CID 141206075) is 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The canonical SMILES for 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is CC(c1ccc2ncccc2c1)c1nnc2cccnn12.
What is the InChIKey of 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The InChIKey is QMXSPWYYXKOGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11(16-20-19-15-5-3-9-18-21(15)16)12-6-7-14-13(10-12)4-2-8-17-14/h2-11H,1H3.
What are the key properties of 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline has a molecular weight of 275.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 141206075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).