methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate

C13H12N4O3 — CID 108774291

IUPACmethyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(Nc2ccc(C)nn2)c1C#N
InChIInChI=1S/C13H12N4O3/c1-7-4-5-10(17-16-7)15-12-9(6-14)11(8(2)20-12)13(18)19-3/h4-5H,1-3H3,(H,15,17)
InChIKeyWVFNJXYQNOEOAY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.09
Rot. Bonds3

About methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate

methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate (PubChem CID 108774291) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
PubChem CID108774291
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Namemethyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(Nc2ccc(C)nn2)c1C#N
InChIInChI=1S/C13H12N4O3/c1-7-4-5-10(17-16-7)15-12-9(6-14)11(8(2)20-12)13(18)19-3/h4-5H,1-3H3,(H,15,17)
InChIKeyWVFNJXYQNOEOAY-UHFFFAOYSA-N
XLogP2.09
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate with MolForge

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Related Compounds

methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate
CID 108774286
methyl 4-cyano-2-methyl-5-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774245
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
CID 108781671
methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781678
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate?
The IUPAC name of methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate (CID 108774291) is methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate.
What is the SMILES notation for methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate?
The canonical SMILES for methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate is COC(=O)c1c(C)oc(Nc2ccc(C)nn2)c1C#N.
What is the InChIKey of methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate?
The InChIKey is WVFNJXYQNOEOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-7-4-5-10(17-16-7)15-12-9(6-14)11(8(2)20-12)13(18)19-3/h4-5H,1-3H3,(H,15,17).
What are the key properties of methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate?
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate is sourced from PubChem (CID 108774291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).