3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid

C9H13N3O3 — CID 114393843

IUPAC3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCN(C)c1cnn(CCC(=O)O)c(=O)c1
InChIInChI=1S/C9H13N3O3/c1-11(2)7-5-8(13)12(10-6-7)4-3-9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyHQESTODXBYCUNH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.22
Rot. Bonds4

About 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid

3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid (PubChem CID 114393843) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
PubChem CID114393843
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCN(C)c1cnn(CCC(=O)O)c(=O)c1
InChIInChI=1S/C9H13N3O3/c1-11(2)7-5-8(13)12(10-6-7)4-3-9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyHQESTODXBYCUNH-UHFFFAOYSA-N
XLogP-0.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanoic acid
CID 104920869
2-[[4-(Dimethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920874
2-[[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920892
2-[[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920895
3,3,3-Trifluoro-2-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]propanoic acid
CID 104920899
2-Fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114394094
3-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]propyl acetate
CID 28685385
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920873
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2,2-Dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548399

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid (CID 114393843) is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid is CN(C)c1cnn(CCC(=O)O)c(=O)c1.
What is the InChIKey of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The InChIKey is HQESTODXBYCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11(2)7-5-8(13)12(10-6-7)4-3-9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid is sourced from PubChem (CID 114393843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).