4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide

C12H21N5O3 — CID 114398501

IUPAC4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
SMILESCOCCN(C)c1cnn(CCCC(=O)NN)c(=O)c1
InChIInChI=1S/C12H21N5O3/c1-16(6-7-20-2)10-8-12(19)17(14-9-10)5-3-4-11(18)15-13/h8-9H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyXOUPEOFNTVEIFM-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.90
Rot. Bonds8

About 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide

4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide (PubChem CID 114398501) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
PubChem CID114398501
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
SMILESCOCCN(C)c1cnn(CCCC(=O)NN)c(=O)c1
InChIInChI=1S/C12H21N5O3/c1-16(6-7-20-2)10-8-12(19)17(14-9-10)5-3-4-11(18)15-13/h8-9H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyXOUPEOFNTVEIFM-UHFFFAOYSA-N
XLogP-0.90
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396847
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396759
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide (CID 114398501) is 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide is COCCN(C)c1cnn(CCCC(=O)NN)c(=O)c1.
What is the InChIKey of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide?
The InChIKey is XOUPEOFNTVEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-16(6-7-20-2)10-8-12(19)17(14-9-10)5-3-4-11(18)15-13/h8-9H,3-7,13H2,1-2H3,(H,15,18).
What are the key properties of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide?
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide has a molecular weight of 283.33 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide is sourced from PubChem (CID 114398501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).