3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid

C10H15N3O3 — CID 114393874

IUPAC3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid
SMILESCC(Cn1ncc(N(C)C)cc1=O)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)6-13-9(14)4-8(5-11-13)12(2)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyHWVRGNWLYQYSIF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.03
Rot. Bonds4

About 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid

3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid (PubChem CID 114393874) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid
PubChem CID114393874
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid
SMILESCC(Cn1ncc(N(C)C)cc1=O)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)6-13-9(14)4-8(5-11-13)12(2)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyHWVRGNWLYQYSIF-UHFFFAOYSA-N
XLogP0.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.03
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-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
1-(6-Hydroxypyridazin-4-yl)azetidine-3-carboxylic acid
CID 91812146
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
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548455

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid (CID 114393874) is 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid is CC(Cn1ncc(N(C)C)cc1=O)C(=O)O.
What is the InChIKey of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The InChIKey is HWVRGNWLYQYSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(10(15)16)6-13-9(14)4-8(5-11-13)12(2)3/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylpropanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.03, 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]-2-methylpropanoic acid is sourced from PubChem (CID 114393874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).