2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide

C12H20N4O3 — CID 72875705

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H20N4O3/c1-14(2)10-7-11(17)16(13-8-10)9-12(18)15(3)5-6-19-4/h7-8H,5-6,9H2,1-4H3
InChIKeyJNSSSVLIIBCNQI-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.59
Rot. Bonds6

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 72875705) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID72875705
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H20N4O3/c1-14(2)10-7-11(17)16(13-8-10)9-12(18)15(3)5-6-19-4/h7-8H,5-6,9H2,1-4H3
InChIKeyJNSSSVLIIBCNQI-UHFFFAOYSA-N
XLogP-0.59
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
Trifluoro-[3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746476
Ethyl 2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579338
Ethyl 2-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579346
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393556
Ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 114393854
Ethyl 2-fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114393937
Ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114393960
Ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114394095
5-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569
2-methyl-5-{4-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 29088368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide (CID 72875705) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is JNSSSVLIIBCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14(2)10-7-11(17)16(13-8-10)9-12(18)15(3)5-6-19-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 72875705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).