3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate

C11H17N3O3 — CID 28685385

IUPAC3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate
SMILESCC(=O)OCCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C11H17N3O3/c1-9(15)17-6-4-5-14-11(16)7-10(8-12-14)13(2)3/h7-8H,4-6H2,1-3H3
InChIKeyAAKHHOFTTGWLTC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.26
Rot. Bonds5

About 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate

3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate (PubChem CID 28685385) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate
PubChem CID28685385
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate
SMILESCC(=O)OCCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C11H17N3O3/c1-9(15)17-6-4-5-14-11(16)7-10(8-12-14)13(2)3/h7-8H,4-6H2,1-3H3
InChIKeyAAKHHOFTTGWLTC-UHFFFAOYSA-N
XLogP0.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
Ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 114393854
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
Ethyl 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 12473884
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(3-ethoxypropyl)pyridazin-3-one
CID 103218435
2-(3-Ethoxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218802
5-(Ethylamino)-2-(3-methoxypropyl)pyridazin-3-one
CID 103218883

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate?
The IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate (CID 28685385) is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate.
What is the SMILES notation for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate?
The canonical SMILES for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate is CC(=O)OCCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate?
The InChIKey is AAKHHOFTTGWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9(15)17-6-4-5-14-11(16)7-10(8-12-14)13(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate?
3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate has a molecular weight of 239.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propyl acetate is sourced from PubChem (CID 28685385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).