methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

C12H13N3O4 — CID 126837317

IUPACmethyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
SMILESCNc1cnn(Cc2ccc(C(=O)OC)o2)c(=O)c1
InChIInChI=1S/C12H13N3O4/c1-13-8-5-11(16)15(14-6-8)7-9-3-4-10(19-9)12(17)18-2/h3-6,13H,7H2,1-2H3
InChIKeyPPTDFGUIDMDIGE-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.71
Rot. Bonds4

About methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate (PubChem CID 126837317) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
PubChem CID126837317
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namemethyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
SMILESCNc1cnn(Cc2ccc(C(=O)OC)o2)c(=O)c1
InChIInChI=1S/C12H13N3O4/c1-13-8-5-11(16)15(14-6-8)7-9-3-4-10(19-9)12(17)18-2/h3-6,13H,7H2,1-2H3
InChIKeyPPTDFGUIDMDIGE-UHFFFAOYSA-N
XLogP0.71
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19585888
methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19586233
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)methyl]furan-2-carboxylate
CID 16846997
methyl 5-[[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]methyl]furan-2-carboxylate
CID 16847342
methyl 5-[(6-cyano-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carboxylate
CID 167806796

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate (CID 126837317) is methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate is CNc1cnn(Cc2ccc(C(=O)OC)o2)c(=O)c1.
What is the InChIKey of methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is PPTDFGUIDMDIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-13-8-5-11(16)15(14-6-8)7-9-3-4-10(19-9)12(17)18-2/h3-6,13H,7H2,1-2H3.
What are the key properties of methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 126837317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).