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

C16H23N7O2S — CID 126921588

IUPACN-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)N1CCCC1
InChIInChI=1S/C16H23N7O2S/c24-26(25,22-7-1-2-8-22)17-9-12-10-21(11-12)15-6-5-14-18-19-16(13-3-4-13)23(14)20-15/h5-6,12-13,17H,1-4,7-11H2
InChIKeyVTDWGTUYOUOBEW-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.37
Rot. Bonds6

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

N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 126921588) has the molecular formula C16H23N7O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID126921588
Molecular FormulaC16H23N7O2S
Molecular Weight377.47 g/mol
Exact Mass377.16
IUPAC NameN-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)N1CCCC1
InChIInChI=1S/C16H23N7O2S/c24-26(25,22-7-1-2-8-22)17-9-12-10-21(11-12)15-6-5-14-18-19-16(13-3-4-13)23(14)20-15/h5-6,12-13,17H,1-4,7-11H2
InChIKeyVTDWGTUYOUOBEW-UHFFFAOYSA-N
XLogP0.37
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126916696
1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
CID 126921642
2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]cyclohexan-1-ol
CID 126922083
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidin-4-amine
CID 126922070
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
CID 126922094
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-cyclopropylethanamine
CID 126922055
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126922071
1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 126921649
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 126922056
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090

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]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 126921588) is N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)N1CCCC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VTDWGTUYOUOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2S/c24-26(25,22-7-1-2-8-22)17-9-12-10-21(11-12)15-6-5-14-18-19-16(13-3-4-13)23(14)20-15/h5-6,12-13,17H,1-4,7-11H2.
What are the key properties of N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126921588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).