2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide

C13H21N5O3 — CID 114398639

IUPAC2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
SMILESCC(C(=O)NN)n1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H21N5O3/c1-9(12(20)16-14)18-11(19)6-10(7-15-18)17-4-5-21-13(2,3)8-17/h6-7,9H,4-5,8,14H2,1-3H3,(H,16,20)
InChIKeyVJDMLDZTXBJJHG-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.59
Rot. Bonds3

About 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide

2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide (PubChem CID 114398639) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
PubChem CID114398639
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
SMILESCC(C(=O)NN)n1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H21N5O3/c1-9(12(20)16-14)18-11(19)6-10(7-15-18)17-4-5-21-13(2,3)8-17/h6-7,9H,4-5,8,14H2,1-3H3,(H,16,20)
InChIKeyVJDMLDZTXBJJHG-UHFFFAOYSA-N
XLogP-0.59
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.59
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

3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395846
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394127
2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114393782
2-(2-cyclopropyl-2-oxoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396293
2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103073097
(E)-4-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]but-2-enoic acid
CID 114394128
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 107506459
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121
4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 133313842
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593034

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide?
The IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide (CID 114398639) is 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide.
What is the SMILES notation for 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide?
The canonical SMILES for 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide is CC(C(=O)NN)n1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide?
The InChIKey is VJDMLDZTXBJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(12(20)16-14)18-11(19)6-10(7-15-18)17-4-5-21-13(2,3)8-17/h6-7,9H,4-5,8,14H2,1-3H3,(H,16,20).
What are the key properties of 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide?
2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide has a molecular weight of 295.34 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide is sourced from PubChem (CID 114398639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).