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

C18H17ClN6 — CID 143585984

IUPAC6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine
SMILESC[C@H](c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.[H]/N=C/C
InChIInChI=1S/C16H12ClN5.C2H5N/c1-10(11-4-5-13-12(9-11)3-2-8-18-13)16-20-19-15-7-6-14(17)21-22(15)16;1-2-3/h2-10H,1H3;2-3H,1H3/b;3-2+/t10-;/m1./s1
InChIKeyDLUJDNQQPOLYIJ-QBTPXYNDSA-N
MW352.83 g/mol
LogP4.13
Rot. Bonds2

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

6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine (PubChem CID 143585984) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine.

Molecular Properties

Compound Name6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine
PubChem CID143585984
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine
SMILESC[C@H](c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.[H]/N=C/C
InChIInChI=1S/C16H12ClN5.C2H5N/c1-10(11-4-5-13-12(9-11)3-2-8-18-13)16-20-19-15-7-6-14(17)21-22(15)16;1-2-3/h2-10H,1H3;2-3H,1H3/b;3-2+/t10-;/m1./s1
InChIKeyDLUJDNQQPOLYIJ-QBTPXYNDSA-N
XLogP4.13
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine with MolForge

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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-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
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-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
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-propan-2-ylquinoline;sulfur dioxide
CID 162251791
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
2-[(1S)-1-quinolin-6-ylethyl]benzamide
CID 176877599

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine?
The IUPAC name of 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine (CID 143585984) is 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine.
What is the SMILES notation for 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine?
The canonical SMILES for 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine is C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.[H]/N=C/C.
What is the InChIKey of 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine?
The InChIKey is DLUJDNQQPOLYIJ-QBTPXYNDSA-N. The full InChI is InChI=1S/C16H12ClN5.C2H5N/c1-10(11-4-5-13-12(9-11)3-2-8-18-13)16-20-19-15-7-6-14(17)21-22(15)16;1-2-3/h2-10H,1H3;2-3H,1H3/b;3-2+/t10-;/m1./s1.
What are the key properties of 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine?
6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine has a molecular weight of 352.83 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine is sourced from PubChem (CID 143585984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).