methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate

C17H16N2O2S — CID 56626852

IUPACmethyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate
SMILESCOC(=O)C1C(C)=NN=C(c2cccs2)C1c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11-14(17(20)21-2)15(12-7-4-3-5-8-12)16(19-18-11)13-9-6-10-22-13/h3-10,14-15H,1-2H3
InChIKeyDETXGZRFMLYXFF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.50
Rot. Bonds3

About methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate

methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate (PubChem CID 56626852) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate
PubChem CID56626852
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Namemethyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate
SMILESCOC(=O)C1C(C)=NN=C(c2cccs2)C1c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11-14(17(20)21-2)15(12-7-4-3-5-8-12)16(19-18-11)13-9-6-10-22-13/h3-10,14-15H,1-2H3
InChIKeyDETXGZRFMLYXFF-UHFFFAOYSA-N
XLogP3.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate (CID 56626852) is methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate is COC(=O)C1C(C)=NN=C(c2cccs2)C1c1ccccc1.
What is the InChIKey of methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate?
The InChIKey is DETXGZRFMLYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-14(17(20)21-2)15(12-7-4-3-5-8-12)16(19-18-11)13-9-6-10-22-13/h3-10,14-15H,1-2H3.
What are the key properties of methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate?
methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-phenyl-6-thiophen-2-yl-4,5-dihydropyridazine-4-carboxylate is sourced from PubChem (CID 56626852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).