2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide

C11H19N5O2 — CID 114398617

IUPAC2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide
SMILESCCCN(C)c1cnn(C(C)C(=O)NN)c(=O)c1
InChIInChI=1S/C11H19N5O2/c1-4-5-15(3)9-6-10(17)16(13-7-9)8(2)11(18)14-12/h6-8H,4-5,12H2,1-3H3,(H,14,18)
InChIKeyLAUWDEKVOOCZHB-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.36
Rot. Bonds5

About 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide

2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide (PubChem CID 114398617) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide
PubChem CID114398617
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide
SMILESCCCN(C)c1cnn(C(C)C(=O)NN)c(=O)c1
InChIInChI=1S/C11H19N5O2/c1-4-5-15(3)9-6-10(17)16(13-7-9)8(2)11(18)14-12/h6-8H,4-5,12H2,1-3H3,(H,14,18)
InChIKeyLAUWDEKVOOCZHB-UHFFFAOYSA-N
XLogP-0.36
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 114394028
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoate
CID 45196781
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
CID 114398639
5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188792
5-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 114394123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide?
The IUPAC name of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide (CID 114398617) is 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide.
What is the SMILES notation for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide?
The canonical SMILES for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide is CCCN(C)c1cnn(C(C)C(=O)NN)c(=O)c1.
What is the InChIKey of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide?
The InChIKey is LAUWDEKVOOCZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-15(3)9-6-10(17)16(13-7-9)8(2)11(18)14-12/h6-8H,4-5,12H2,1-3H3,(H,14,18).
What are the key properties of 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide?
2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide has a molecular weight of 253.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanehydrazide is sourced from PubChem (CID 114398617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).