methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate

C16H15N3O4S — CID 736077

IUPACmethyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)sc(C)c12
InChIInChI=1S/C16H15N3O4S/c1-8-11-12(14(17)24-8)15(20)19(18-13(11)16(21)23-3)9-4-6-10(22-2)7-5-9/h4-7H,17H2,1-3H3
InChIKeyJXAGWNZVOPQTCZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.13
Rot. Bonds3

About methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate

methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate (PubChem CID 736077) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
PubChem CID736077
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Namemethyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)sc(C)c12
InChIInChI=1S/C16H15N3O4S/c1-8-11-12(14(17)24-8)15(20)19(18-13(11)16(21)23-3)9-4-6-10(22-2)7-5-9/h4-7H,17H2,1-3H3
InChIKeyJXAGWNZVOPQTCZ-UHFFFAOYSA-N
XLogP2.13
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
CID 719449
5-amino-N'-(4-methoxybenzylidene)-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carbohydrazide
CID 6871359
5-Amino-3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylic acid
CID 9839953
Ethyl 5-Amino-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
CID 25130167
Methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130974
Ethyl 3-(4-Acetoxyphenyl)-5-amino-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
CID 25130170
2-Amino-5-(4-methoxy-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester
CID 742317
Methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2756467
5-Amino-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylic acid
CID 51040316
5-Amino-4-oxo-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid
CID 51041156
5-amino-3-[4-(2-fluoroethoxy)phenyl]-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
CID 73350925
5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490346

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The IUPAC name of methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate (CID 736077) is methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)sc(C)c12.
What is the InChIKey of methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The InChIKey is JXAGWNZVOPQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-8-11-12(14(17)24-8)15(20)19(18-13(11)16(21)23-3)9-4-6-10(22-2)7-5-9/h4-7H,17H2,1-3H3.
What are the key properties of methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate has a molecular weight of 345.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate is sourced from PubChem (CID 736077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).