2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid

C11H17N3O3 — CID 114394028

IUPAC2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCCN(CC)c1cnn(C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)9-6-10(15)14(12-7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyHFJAUZBGTGNSPT-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.74
Rot. Bonds5

About 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid

2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid (PubChem CID 114394028) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
PubChem CID114394028
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCCN(CC)c1cnn(C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)9-6-10(15)14(12-7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyHFJAUZBGTGNSPT-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 107427809
2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide
CID 114398617
5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188792
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
CID 102735288
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoate
CID 45196781
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
CID 114394356
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid (CID 114394028) is 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid is CCN(CC)c1cnn(C(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The InChIKey is HFJAUZBGTGNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(5-2)9-6-10(15)14(12-7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid?
2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid has a molecular weight of 239.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid is sourced from PubChem (CID 114394028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).