N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide

C11H18N4OS — CID 133303912

IUPACN-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
SMILESCSc1ccc(N(C)CCCNC(C)=O)nn1
InChIInChI=1S/C11H18N4OS/c1-9(16)12-7-4-8-15(2)10-5-6-11(17-3)14-13-10/h5-6H,4,7-8H2,1-3H3,(H,12,16)
InChIKeyUWMDDIRASGLKFS-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.16
Rot. Bonds6

About N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide

N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide (PubChem CID 133303912) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
PubChem CID133303912
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
SMILESCSc1ccc(N(C)CCCNC(C)=O)nn1
InChIInChI=1S/C11H18N4OS/c1-9(16)12-7-4-8-15(2)10-5-6-11(17-3)14-13-10/h5-6H,4,7-8H2,1-3H3,(H,12,16)
InChIKeyUWMDDIRASGLKFS-UHFFFAOYSA-N
XLogP1.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-trimethyl-N'-(6-methylsulfanylpyridazin-3-yl)ethane-1,2-diamine
CID 133356168
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906
6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339834
N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
CID 133313683
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine
CID 99807689
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide (CID 133303912) is N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide is CSc1ccc(N(C)CCCNC(C)=O)nn1.
What is the InChIKey of N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide?
The InChIKey is UWMDDIRASGLKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-9(16)12-7-4-8-15(2)10-5-6-11(17-3)14-13-10/h5-6H,4,7-8H2,1-3H3,(H,12,16).
What are the key properties of N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide?
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide has a molecular weight of 254.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide is sourced from PubChem (CID 133303912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).