5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide

C13H21N5O3 — CID 114398521

IUPAC5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide
SMILESCCN(C)c1cnn(CC2CCC(C(=O)NN)O2)c(=O)c1
InChIInChI=1S/C13H21N5O3/c1-3-17(2)9-6-12(19)18(15-7-9)8-10-4-5-11(21-10)13(20)16-14/h6-7,10-11H,3-5,8,14H2,1-2H3,(H,16,20)
InChIKeyNBCUYSCEDGRPAW-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.76
Rot. Bonds5

About 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide

5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide (PubChem CID 114398521) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide
PubChem CID114398521
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide
SMILESCCN(C)c1cnn(CC2CCC(C(=O)NN)O2)c(=O)c1
InChIInChI=1S/C13H21N5O3/c1-3-17(2)9-6-12(19)18(15-7-9)8-10-4-5-11(21-10)13(20)16-14/h6-7,10-11H,3-5,8,14H2,1-2H3,(H,16,20)
InChIKeyNBCUYSCEDGRPAW-UHFFFAOYSA-N
XLogP-0.76
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.76
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

2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide (CID 114398521) is 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide is CCN(C)c1cnn(CC2CCC(C(=O)NN)O2)c(=O)c1.
What is the InChIKey of 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide?
The InChIKey is NBCUYSCEDGRPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-17(2)9-6-12(19)18(15-7-9)8-10-4-5-11(21-10)13(20)16-14/h6-7,10-11H,3-5,8,14H2,1-2H3,(H,16,20).
What are the key properties of 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide?
5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 114398521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).