5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide

C18H20N4O3S — CID 25181372

IUPAC5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
SMILESCCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C18H20N4O3S/c1-4-21(5-2)18(24)15-13-10-26-16(19)14(13)17(23)22(20-15)11-6-8-12(25-3)9-7-11/h6-10H,4-5,19H2,1-3H3
InChIKeyYAOINVBRFQCNER-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.52
Rot. Bonds5

About 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide

5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide (PubChem CID 25181372) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
PubChem CID25181372
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
SMILESCCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C18H20N4O3S/c1-4-21(5-2)18(24)15-13-10-26-16(19)14(13)17(23)22(20-15)11-6-8-12(25-3)9-7-11/h6-10H,4-5,19H2,1-3H3
InChIKeyYAOINVBRFQCNER-UHFFFAOYSA-N
XLogP2.52
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
CID 736077
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
5-amino-3-(4-chlorophenyl)-N'-(4-methoxybenzylidene)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carbohydrazide
CID 6871358
Ethyl 3-(4-Acetoxyphenyl)-5-amino-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
CID 25130170
5-(4-Methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,11-tetraene-6,13-dione
CID 57398691
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
2-[[3-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]ethanamide
CID 659205
3-Ethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 3241114

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide (CID 25181372) is 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide is CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
The InChIKey is YAOINVBRFQCNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-21(5-2)18(24)15-13-10-26-16(19)14(13)17(23)22(20-15)11-6-8-12(25-3)9-7-11/h6-10H,4-5,19H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide?
5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 25181372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).