ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate

C15H21N5O4 — CID 13382920

IUPACethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N/NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H21N5O4/c1-3-24-14(21)10-11(2)16-19-15(22)12-4-5-13(18-17-12)20-6-8-23-9-7-20/h4-5H,3,6-10H2,1-2H3,(H,19,22)/b16-11+
InChIKeyJDJOEAODUYRTPS-LFIBNONCSA-N
MW335.36 g/mol
LogP0.37
Rot. Bonds6

About ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate

ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate (PubChem CID 13382920) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate
PubChem CID13382920
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Nameethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N/NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H21N5O4/c1-3-24-14(21)10-11(2)16-19-15(22)12-4-5-13(18-17-12)20-6-8-23-9-7-20/h4-5H,3,6-10H2,1-2H3,(H,19,22)/b16-11+
InChIKeyJDJOEAODUYRTPS-LFIBNONCSA-N
XLogP0.37
TPSA106.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028153
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate?
The IUPAC name of ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate (CID 13382920) is ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate?
The canonical SMILES for ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate is CCOC(=O)C/C(C)=N/NC(=O)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate?
The InChIKey is JDJOEAODUYRTPS-LFIBNONCSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-3-24-14(21)10-11(2)16-19-15(22)12-4-5-13(18-17-12)20-6-8-23-9-7-20/h4-5H,3,6-10H2,1-2H3,(H,19,22)/b16-11+.
What are the key properties of ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate?
ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate has a molecular weight of 335.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate is sourced from PubChem (CID 13382920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).