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

C24H21N5 — CID 163519216

IUPAC6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline
SMILESCCC(C)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C24H21N5/c1-3-24(2,19-11-12-20-18(16-19)10-7-15-25-20)23-27-26-22-14-13-21(28-29(22)23)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3
InChIKeyDJHZZFGLNUCXKO-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.06
Rot. Bonds4

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

6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline (PubChem CID 163519216) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline.

Molecular Properties

Compound Name6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline
PubChem CID163519216
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline
SMILESCCC(C)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C24H21N5/c1-3-24(2,19-11-12-20-18(16-19)10-7-15-25-20)23-27-26-22-14-13-21(28-29(22)23)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3
InChIKeyDJHZZFGLNUCXKO-UHFFFAOYSA-N
XLogP5.06
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline with MolForge

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Related Compounds

6-[difluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320421
4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 59320375
6-[difluoro-[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320399
6-[difluoro-[6-(1-propan-2-ylindol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 177380762
6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 122662910
N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
CID 24964451
[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
CID 59320374
3-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)aniline
CID 89271555
2-methyl-3-quinolin-6-ylpentan-3-ol
CID 81215889
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24965874
6-[[6-[4-(4-methylsulfonylphenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24968366
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 24779725

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline?
The IUPAC name of 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline (CID 163519216) is 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline.
What is the SMILES notation for 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline?
The canonical SMILES for 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline is CCC(C)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline?
The InChIKey is DJHZZFGLNUCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-3-24(2,19-11-12-20-18(16-19)10-7-15-25-20)23-27-26-22-14-13-21(28-29(22)23)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3.
What are the key properties of 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline?
6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline has a molecular weight of 379.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline is sourced from PubChem (CID 163519216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).