N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide

C11H15N5O3S — CID 71790923

IUPACN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(=O)n(CCNS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S/c1-9-12-5-7-15(9)10-3-4-11(17)16(14-10)8-6-13-20(2,18)19/h3-5,7,13H,6,8H2,1-2H3
InChIKeyGCQWEWOHHJJVNM-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.71
Rot. Bonds5

About N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide

N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide (PubChem CID 71790923) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
PubChem CID71790923
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC NameN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(=O)n(CCNS(C)(=O)=O)n1
InChIInChI=1S/C11H15N5O3S/c1-9-12-5-7-15(9)10-3-4-11(17)16(14-10)8-6-13-20(2,18)19/h3-5,7,13H,6,8H2,1-2H3
InChIKeyGCQWEWOHHJJVNM-UHFFFAOYSA-N
XLogP-0.71
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide (CID 71790923) is N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide is Cc1nccn1-c1ccc(=O)n(CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is GCQWEWOHHJJVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-9-12-5-7-15(9)10-3-4-11(17)16(14-10)8-6-13-20(2,18)19/h3-5,7,13H,6,8H2,1-2H3.
What are the key properties of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71790923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).