methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

C15H13N3O3S — CID 2814245

IUPACmethyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)sc(C)c12
InChIInChI=1S/C15H13N3O3S/c1-8-10-11(13(16)22-8)14(19)18(9-6-4-3-5-7-9)17-12(10)15(20)21-2/h3-7H,16H2,1-2H3
InChIKeyRCNJFJDWDGYVRY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.12
Rot. Bonds2

About methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate (PubChem CID 2814245) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
PubChem CID2814245
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Namemethyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)sc(C)c12
InChIInChI=1S/C15H13N3O3S/c1-8-10-11(13(16)22-8)14(19)18(9-6-4-3-5-7-9)17-12(10)15(20)21-2/h3-7H,16H2,1-2H3
InChIKeyRCNJFJDWDGYVRY-UHFFFAOYSA-N
XLogP2.12
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 1008364
methyl 7-methyl-3-(4-methylphenyl)-4-oxo-5-[[(1Z,4E)-3-oxo-5-phenylpenta-1,4-dienyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 11605485
5-bromo-3-methoxycarbonyl-6-oxo-1-phenylpyridazin-4-olate
CID 51372770
methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate
CID 54712141
dimethyl 4-oxo-1-phenyl-6-propan-2-ylpyridazine-3,5-dicarboxylate
CID 14031226
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
2-(5-amino-7-bromo-1-ethoxycarbonyl-4-oxothieno[3,4-d]pyridazin-3-yl)benzoate
CID 40737033
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
methyl 6-oxo-1-phenyl-4H-thieno[3,4-d]pyrazole-3-carboxylate
CID 57412371
ethyl 4-oxo-3-phenyl-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 4137938
methyl 5-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiophene-2-carboxylate
CID 24509390

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The IUPAC name of methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate (CID 2814245) is methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate.
What is the SMILES notation for methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The canonical SMILES for methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate is COC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)sc(C)c12.
What is the InChIKey of methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
The InChIKey is RCNJFJDWDGYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-8-10-11(13(16)22-8)14(19)18(9-6-4-3-5-7-9)17-12(10)15(20)21-2/h3-7H,16H2,1-2H3.
What are the key properties of methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate?
methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate is sourced from PubChem (CID 2814245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).