N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide

C11H19BrN4O3S — CID 106337187

IUPACN-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
SMILESCCCn1ncc(NCCCNS(C)(=O)=O)c(Br)c1=O
InChIInChI=1S/C11H19BrN4O3S/c1-3-7-16-11(17)10(12)9(8-14-16)13-5-4-6-15-20(2,18)19/h8,13,15H,3-7H2,1-2H3
InChIKeyPTZGHCMNXKKYFG-UHFFFAOYSA-N
MW367.27 g/mol
LogP0.77
Rot. Bonds8

About N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 106337187) has the molecular formula C11H19BrN4O3S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
PubChem CID106337187
Molecular FormulaC11H19BrN4O3S
Molecular Weight367.27 g/mol
Exact Mass366.04
IUPAC NameN-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
SMILESCCCn1ncc(NCCCNS(C)(=O)=O)c(Br)c1=O
InChIInChI=1S/C11H19BrN4O3S/c1-3-7-16-11(17)10(12)9(8-14-16)13-5-4-6-15-20(2,18)19/h8,13,15H,3-7H2,1-2H3
InChIKeyPTZGHCMNXKKYFG-UHFFFAOYSA-N
XLogP0.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 50.77
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-[1-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438200
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
N-[2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433499
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436551
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide (CID 106337187) is N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide is CCCn1ncc(NCCCNS(C)(=O)=O)c(Br)c1=O.
What is the InChIKey of N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is PTZGHCMNXKKYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O3S/c1-3-7-16-11(17)10(12)9(8-14-16)13-5-4-6-15-20(2,18)19/h8,13,15H,3-7H2,1-2H3.
What are the key properties of N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106337187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).