N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide

C18H17N7O2S — CID 121022914

IUPACN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc3nncn3n2)C1)c1cccc2cccnc12
InChIInChI=1S/C18H17N7O2S/c26-28(27,15-5-1-3-13-4-2-9-19-18(13)15)23-14-8-10-24(11-14)17-7-6-16-21-20-12-25(16)22-17/h1-7,9,12,14,23H,8,10-11H2
InChIKeyUFMGQBUTSSEQIX-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.23
Rot. Bonds4

About N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide

N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide (PubChem CID 121022914) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide
PubChem CID121022914
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc3nncn3n2)C1)c1cccc2cccnc12
InChIInChI=1S/C18H17N7O2S/c26-28(27,15-5-1-3-13-4-2-9-19-18(13)15)23-14-8-10-24(11-14)17-7-6-16-21-20-12-25(16)22-17/h1-7,9,12,14,23H,8,10-11H2
InChIKeyUFMGQBUTSSEQIX-UHFFFAOYSA-N
XLogP1.23
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920240
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
CID 91421233
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 55585765
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920880
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
2-benzylsulfanyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 129357972
2-phenoxy-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 121022857
1-(pyridin-3-ylmethyl)-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 121022905

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide (CID 121022914) is N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide is O=S(=O)(NC1CCN(c2ccc3nncn3n2)C1)c1cccc2cccnc12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide?
The InChIKey is UFMGQBUTSSEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c26-28(27,15-5-1-3-13-4-2-9-19-18(13)15)23-14-8-10-24(11-14)17-7-6-16-21-20-12-25(16)22-17/h1-7,9,12,14,23H,8,10-11H2.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide?
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide has a molecular weight of 395.45 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 121022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).