N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

C16H24N6O2S — CID 126918120

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CN(c2ccc(C(C)(C)C)nn2)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H24N6O2S/c1-16(2,3)13-6-7-14(19-18-13)22-8-12(9-22)21(5)25(23,24)15-10-20(4)11-17-15/h6-7,10-12H,8-9H2,1-5H3
InChIKeyXAOMTMGONXWRIG-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.02
Rot. Bonds4

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 126918120) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID126918120
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CN(c2ccc(C(C)(C)C)nn2)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H24N6O2S/c1-16(2,3)13-6-7-14(19-18-13)22-8-12(9-22)21(5)25(23,24)15-10-20(4)11-17-15/h6-7,10-12H,8-9H2,1-5H3
InChIKeyXAOMTMGONXWRIG-UHFFFAOYSA-N
XLogP1.02
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide (CID 126918120) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is CN(C1CN(c2ccc(C(C)(C)C)nn2)C1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is XAOMTMGONXWRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-16(2,3)13-6-7-14(19-18-13)22-8-12(9-22)21(5)25(23,24)15-10-20(4)11-17-15/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 126918120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).