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

C11H18N4O3 — CID 55213491

IUPAC5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
SMILESCc1c(C)c(=O)n(CCCCC(=O)NN)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-7-8(2)11(18)15(14-10(7)17)6-4-3-5-9(16)13-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyYJRUFUAEIALXJK-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.69
Rot. Bonds5

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

5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide (PubChem CID 55213491) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
PubChem CID55213491
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
SMILESCc1c(C)c(=O)n(CCCCC(=O)NN)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-7-8(2)11(18)15(14-10(7)17)6-4-3-5-9(16)13-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyYJRUFUAEIALXJK-UHFFFAOYSA-N
XLogP-0.69
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The IUPAC name of 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide (CID 55213491) is 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide.
What is the SMILES notation for 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The canonical SMILES for 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide is Cc1c(C)c(=O)n(CCCCC(=O)NN)[nH]c1=O.
What is the InChIKey of 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The InChIKey is YJRUFUAEIALXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-8(2)11(18)15(14-10(7)17)6-4-3-5-9(16)13-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide has a molecular weight of 254.29 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide is sourced from PubChem (CID 55213491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).