7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one

C25H19N5O — CID 175976372

IUPAC7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21
InChIInChI=1S/C25H19N5O/c31-23-5-1-3-17-7-8-19(15-20(17)23)22-10-11-24-27-28-25(30(24)29-22)14-16-6-9-21-18(13-16)4-2-12-26-21/h2,4,6-13,15H,1,3,5,14H2
InChIKeyGIIGGIVLNUQNOT-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.45
Rot. Bonds3

About 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one

7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 175976372) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID175976372
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21
InChIInChI=1S/C25H19N5O/c31-23-5-1-3-17-7-8-19(15-20(17)23)22-10-11-24-27-28-25(30(24)29-22)14-16-6-9-21-18(13-16)4-2-12-26-21/h2,4,6-13,15H,1,3,5,14H2
InChIKeyGIIGGIVLNUQNOT-UHFFFAOYSA-N
XLogP4.45
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one
CID 175976359
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
6-[[6-[4-(4-methylsulfonylphenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24968366
2-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indazol-1-yl]ethanol
CID 177380756
6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,3-dihydrochromen-4-one
CID 177380745
8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 16873819
(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-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 82167208

Frequently Asked Questions

What is the IUPAC name of 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 175976372) is 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21.
What is the InChIKey of 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GIIGGIVLNUQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c31-23-5-1-3-17-7-8-19(15-20(17)23)22-10-11-24-27-28-25(30(24)29-22)14-16-6-9-21-18(13-16)4-2-12-26-21/h2,4,6-13,15H,1,3,5,14H2.
What are the key properties of 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one?
7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 405.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 175976372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).