methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate

C13H13FN4O3 — CID 163361015

IUPACmethyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2c(C)cccc2F)c(=O)cc1NN
InChIInChI=1S/C13H13FN4O3/c1-7-4-3-5-8(14)12(7)18-10(19)6-9(16-15)11(17-18)13(20)21-2/h3-6,16H,15H2,1-2H3
InChIKeyUZENEADUQMRSPD-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.75
Rot. Bonds3

About methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate

methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate (PubChem CID 163361015) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
PubChem CID163361015
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Namemethyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2c(C)cccc2F)c(=O)cc1NN
InChIInChI=1S/C13H13FN4O3/c1-7-4-3-5-8(14)12(7)18-10(19)6-9(16-15)11(17-18)13(20)21-2/h3-6,16H,15H2,1-2H3
InChIKeyUZENEADUQMRSPD-UHFFFAOYSA-N
XLogP0.75
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate (CID 163361015) is methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2c(C)cccc2F)c(=O)cc1NN.
What is the InChIKey of methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The InChIKey is UZENEADUQMRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-7-4-3-5-8(14)12(7)18-10(19)6-9(16-15)11(17-18)13(20)21-2/h3-6,16H,15H2,1-2H3.
What are the key properties of methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 163361015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).