(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid

C14H21N3O3 — CID 114394032

IUPAC(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid
SMILESCC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-11(14(19)20)7-8-17-13(18)9-12(10-15-17)16(5-2)6-3/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)/b11-7-
InChIKeyLSSHCYFMPQWMPL-XFFZJAGNSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds7

About (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid

(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid (PubChem CID 114394032) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid
PubChem CID114394032
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid
SMILESCC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-11(14(19)20)7-8-17-13(18)9-12(10-15-17)16(5-2)6-3/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)/b11-7-
InChIKeyLSSHCYFMPQWMPL-XFFZJAGNSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 77100739
2-Ethyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77102290
2-Ethyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 104920867
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid
CID 104920872
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920873
Methyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoate
CID 104920875
2-Ethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 104920876
2-Ethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 104920884
2-Ethyl-4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]but-2-enoic acid
CID 104920889
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2-Ethyl-4-(4-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 106548414
2-Methyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 113579310

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid?
The IUPAC name of (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid (CID 114394032) is (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid is CC/C(=C/Cn1ncc(N(CC)CC)cc1=O)C(=O)O.
What is the InChIKey of (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid?
The InChIKey is LSSHCYFMPQWMPL-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-11(14(19)20)7-8-17-13(18)9-12(10-15-17)16(5-2)6-3/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)/b11-7-.
What are the key properties of (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid?
(Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-ethylbut-2-enoic acid is sourced from PubChem (CID 114394032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).