2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide

C14H23N5O2 — CID 114398451

IUPAC2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide
SMILESCC(C)(Cn1ncc(N2CCCCC2)cc1=O)C(=O)NN
InChIInChI=1S/C14H23N5O2/c1-14(2,13(21)17-15)10-19-12(20)8-11(9-16-19)18-6-4-3-5-7-18/h8-9H,3-7,10,15H2,1-2H3,(H,17,21)
InChIKeyDMRPIPUVXNFZON-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.25
Rot. Bonds4

About 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide

2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide (PubChem CID 114398451) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide
PubChem CID114398451
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide
SMILESCC(C)(Cn1ncc(N2CCCCC2)cc1=O)C(=O)NN
InChIInChI=1S/C14H23N5O2/c1-14(2,13(21)17-15)10-19-12(20)8-11(9-16-19)18-6-4-3-5-7-18/h8-9H,3-7,10,15H2,1-2H3,(H,17,21)
InChIKeyDMRPIPUVXNFZON-UHFFFAOYSA-N
XLogP0.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.25
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

methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
CID 114393825
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
ethyl (E)-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 114393911
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-(2-methylbutan-2-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397416
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide (CID 114398451) is 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide is CC(C)(Cn1ncc(N2CCCCC2)cc1=O)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide?
The InChIKey is DMRPIPUVXNFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2,13(21)17-15)10-19-12(20)8-11(9-16-19)18-6-4-3-5-7-18/h8-9H,3-7,10,15H2,1-2H3,(H,17,21).
What are the key properties of 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide?
2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide has a molecular weight of 293.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide is sourced from PubChem (CID 114398451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).