N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

C16H20N8O2S — CID 126921738

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H20N8O2S/c1-21-9-15(17-10-21)27(25,26)22(2)12-7-23(8-12)14-6-5-13-18-19-16(11-3-4-11)24(13)20-14/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPVQPWVSGJXYJEG-UHFFFAOYSA-N
MW388.46 g/mol
LogP0.24
Rot. Bonds5

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 126921738) has the molecular formula C16H20N8O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID126921738
Molecular FormulaC16H20N8O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H20N8O2S/c1-21-9-15(17-10-21)27(25,26)22(2)12-7-23(8-12)14-6-5-13-18-19-16(11-3-4-11)24(13)20-14/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPVQPWVSGJXYJEG-UHFFFAOYSA-N
XLogP0.24
TPSA101.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-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-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 126921587
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918120
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-fluoro-N-methylbenzenesulfonamide
CID 134161730
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide
CID 126922213
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
3-methyl-6-[5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154581507
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126921823
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918876
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpiperidin-2-one
CID 126921814

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (CID 126921738) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is CN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is PVQPWVSGJXYJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2S/c1-21-9-15(17-10-21)27(25,26)22(2)12-7-23(8-12)14-6-5-13-18-19-16(11-3-4-11)24(13)20-14/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 388.46 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 126921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).