N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide

C12H14N8O2S — CID 126920477

IUPACN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESCN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H14N8O2S/c1-18(23(21,22)12-4-13-7-14-12)9-5-19(6-9)11-3-2-10-16-15-8-20(10)17-11/h2-4,7-9H,5-6H2,1H3,(H,13,14)
InChIKeyILICWMKSPMNYIE-UHFFFAOYSA-N
MW334.37 g/mol
LogP-0.64
Rot. Bonds4

About N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide (PubChem CID 126920477) has the molecular formula C12H14N8O2S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
PubChem CID126920477
Molecular FormulaC12H14N8O2S
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESCN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H14N8O2S/c1-18(23(21,22)12-4-13-7-14-12)9-5-19(6-9)11-3-2-10-16-15-8-20(10)17-11/h2-4,7-9H,5-6H2,1H3,(H,13,14)
InChIKeyILICWMKSPMNYIE-UHFFFAOYSA-N
XLogP-0.64
TPSA112.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide (CID 126920477) is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide is CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is ILICWMKSPMNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O2S/c1-18(23(21,22)12-4-13-7-14-12)9-5-19(6-9)11-3-2-10-16-15-8-20(10)17-11/h2-4,7-9H,5-6H2,1H3,(H,13,14).
What are the key properties of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide?
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 126920477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).