methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate

C14H15FN4O3 — CID 163360969

IUPACmethyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
SMILESCCc1cccc(F)c1-n1nc(C(=O)OC)c(NN)cc1=O
InChIInChI=1S/C14H15FN4O3/c1-3-8-5-4-6-9(15)13(8)19-11(20)7-10(17-16)12(18-19)14(21)22-2/h4-7,17H,3,16H2,1-2H3
InChIKeyIKFXELHFTDOBTH-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.01
Rot. Bonds4

About methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate

methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate (PubChem CID 163360969) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
PubChem CID163360969
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Namemethyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
SMILESCCc1cccc(F)c1-n1nc(C(=O)OC)c(NN)cc1=O
InChIInChI=1S/C14H15FN4O3/c1-3-8-5-4-6-9(15)13(8)19-11(20)7-10(17-16)12(18-19)14(21)22-2/h4-7,17H,3,16H2,1-2H3
InChIKeyIKFXELHFTDOBTH-UHFFFAOYSA-N
XLogP1.01
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.01
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-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate (CID 163360969) is methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate is CCc1cccc(F)c1-n1nc(C(=O)OC)c(NN)cc1=O.
What is the InChIKey of methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
The InChIKey is IKFXELHFTDOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-3-8-5-4-6-9(15)13(8)19-11(20)7-10(17-16)12(18-19)14(21)22-2/h4-7,17H,3,16H2,1-2H3.
What are the key properties of methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate?
methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate has a molecular weight of 306.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 163360969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).