methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate

C13H14N4O4 — CID 1473659

IUPACmethyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1NN
InChIInChI=1S/C13H14N4O4/c1-20-9-5-3-8(4-6-9)17-11(18)7-10(15-14)12(16-17)13(19)21-2/h3-7,15H,14H2,1-2H3
InChIKeyFMKVZGXGGANQCZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.31
Rot. Bonds4

About methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate

methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate (PubChem CID 1473659) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
PubChem CID1473659
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Namemethyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1NN
InChIInChI=1S/C13H14N4O4/c1-20-9-5-3-8(4-6-9)17-11(18)7-10(15-14)12(16-17)13(19)21-2/h3-7,15H,14H2,1-2H3
InChIKeyFMKVZGXGGANQCZ-UHFFFAOYSA-N
XLogP0.31
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 3240576
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CID 54693104
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CID 1473669
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CID 6413030
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CID 3785886
CID 3785886
CID 54687132
CID 54687132
CID 45490071
CID 45490071
CID 7185957
CID 7185957
CID 687973
CID 687973
CID 900921
CID 900921
CID 118715634
CID 118715634
CID 16460027
CID 16460027

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate (CID 1473659) is methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1NN.
What is the InChIKey of methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is FMKVZGXGGANQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-9-5-3-8(4-6-9)17-11(18)7-10(15-14)12(16-17)13(19)21-2/h3-7,15H,14H2,1-2H3.
What are the key properties of methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate?
methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydrazinyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 1473659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).