N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide

C8H14N4O3S — CID 113039467

IUPACN-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
SMILESCOCCNc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H14N4O3S/c1-15-6-5-9-7-3-4-8(11-10-7)12-16(2,13)14/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyZTRKOPLXJDCTKM-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.09
Rot. Bonds6

About N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide

N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113039467) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
PubChem CID113039467
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
SMILESCOCCNc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H14N4O3S/c1-15-6-5-9-7-3-4-8(11-10-7)12-16(2,13)14/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyZTRKOPLXJDCTKM-UHFFFAOYSA-N
XLogP-0.09
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
CID 113039466
5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
6-(2-methoxyethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109113786

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide (CID 113039467) is N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide is COCCNc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is ZTRKOPLXJDCTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-15-6-5-9-7-3-4-8(11-10-7)12-16(2,13)14/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide?
N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113039467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).