6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one

C23H14N6O — CID 175976359

IUPAC6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one
SMILESO=C1C=c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2=N1
InChIInChI=1S/C23H14N6O/c30-23-13-17-5-4-16(12-20(17)25-23)19-7-8-21-26-27-22(29(21)28-19)11-14-3-6-18-15(10-14)2-1-9-24-18/h1-10,12-13H,11H2
InChIKeyGCXHGGBTTWHRCP-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.87
Rot. Bonds3

About 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one

6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one (PubChem CID 175976359) has the molecular formula C23H14N6O and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one.

Molecular Properties

Compound Name6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one
PubChem CID175976359
Molecular FormulaC23H14N6O
Molecular Weight390.41 g/mol
Exact Mass390.12
IUPAC Name6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one
SMILESO=C1C=c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2=N1
InChIInChI=1S/C23H14N6O/c30-23-13-17-5-4-16(12-20(17)25-23)19-7-8-21-26-27-22(29(21)28-19)11-14-3-6-18-15(10-14)2-1-9-24-18/h1-10,12-13H,11H2
InChIKeyGCXHGGBTTWHRCP-UHFFFAOYSA-N
XLogP1.87
TPSA85.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one with MolForge

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Related Compounds

6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24965874
7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 175976372
N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
CID 24964451
3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
CID 24963387
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 24779725
2-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indazol-1-yl]ethanol
CID 177380756
6-[[6-[4-(4-methylsulfonylphenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24968366
(Z)-N-methoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
CID 86652039
[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea
CID 78153620
2-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropan-1-ol
CID 76720055
[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
CID 59320374
3-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropane-1,2-diol
CID 76720074

Frequently Asked Questions

What is the IUPAC name of 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one?
The IUPAC name of 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one (CID 175976359) is 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one.
What is the SMILES notation for 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one?
The canonical SMILES for 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one is O=C1C=c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2=N1.
What is the InChIKey of 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one?
The InChIKey is GCXHGGBTTWHRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N6O/c30-23-13-17-5-4-16(12-20(17)25-23)19-7-8-21-26-27-22(29(21)28-19)11-14-3-6-18-15(10-14)2-1-9-24-18/h1-10,12-13H,11H2.
What are the key properties of 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one?
6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one has a molecular weight of 390.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one is sourced from PubChem (CID 175976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).