hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate

C9H14N4O4 — CID 66339340

IUPAChydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESCc1c(C)c(=O)n(CCC(=O)ONN)[nH]c1=O
InChIInChI=1S/C9H14N4O4/c1-5-6(2)9(16)13(11-8(5)15)4-3-7(14)17-12-10/h12H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyIDLPSBGFGREOKT-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.53
Rot. Bonds4

About hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate

hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate (PubChem CID 66339340) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate
PubChem CID66339340
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Namehydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESCc1c(C)c(=O)n(CCC(=O)ONN)[nH]c1=O
InChIInChI=1S/C9H14N4O4/c1-5-6(2)9(16)13(11-8(5)15)4-3-7(14)17-12-10/h12H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyIDLPSBGFGREOKT-UHFFFAOYSA-N
XLogP-1.53
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate (CID 66339340) is hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate is Cc1c(C)c(=O)n(CCC(=O)ONN)[nH]c1=O.
What is the InChIKey of hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The InChIKey is IDLPSBGFGREOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5-6(2)9(16)13(11-8(5)15)4-3-7(14)17-12-10/h12H,3-4,10H2,1-2H3,(H,11,15).
What are the key properties of hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate?
hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate has a molecular weight of 242.23 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanoate is sourced from PubChem (CID 66339340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).