methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate

C15H18N2O4 — CID 71995617

IUPACmethyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C15H18N2O4/c1-15(2,3)11-5-6-12(18)17(16-11)9-10-7-8-21-13(10)14(19)20-4/h5-8H,9H2,1-4H3
InChIKeyGJSVYYFSQRIAFX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.97
Rot. Bonds3

About methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate

methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate (PubChem CID 71995617) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate
PubChem CID71995617
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C15H18N2O4/c1-15(2,3)11-5-6-12(18)17(16-11)9-10-7-8-21-13(10)14(19)20-4/h5-8H,9H2,1-4H3
InChIKeyGJSVYYFSQRIAFX-UHFFFAOYSA-N
XLogP1.97
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate (CID 71995617) is methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate is COC(=O)c1occc1Cn1nc(C(C)(C)C)ccc1=O.
What is the InChIKey of methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is GJSVYYFSQRIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)11-5-6-12(18)17(16-11)9-10-7-8-21-13(10)14(19)20-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate?
methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 71995617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).