1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine

C15H15Cl2N3O — CID 156843482

IUPAC1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(C)c(CN2Cc3c(Cl)nnc(Cl)c3C2)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-3-4-11(21-2)5-10(9)6-20-7-12-13(8-20)15(17)19-18-14(12)16/h3-5H,6-8H2,1-2H3
InChIKeyMQZBEHJHFVMBCO-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.62
Rot. Bonds3

About 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine

1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine (PubChem CID 156843482) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine
PubChem CID156843482
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine
SMILESCOc1ccc(C)c(CN2Cc3c(Cl)nnc(Cl)c3C2)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-3-4-11(21-2)5-10(9)6-20-7-12-13(8-20)15(17)19-18-14(12)16/h3-5H,6-8H2,1-2H3
InChIKeyMQZBEHJHFVMBCO-UHFFFAOYSA-N
XLogP3.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine 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 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine (CID 156843482) is 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine is COc1ccc(C)c(CN2Cc3c(Cl)nnc(Cl)c3C2)c1.
What is the InChIKey of 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine?
The InChIKey is MQZBEHJHFVMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9-3-4-11(21-2)5-10(9)6-20-7-12-13(8-20)15(17)19-18-14(12)16/h3-5H,6-8H2,1-2H3.
What are the key properties of 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine?
1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine has a molecular weight of 324.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6-[(5-methoxy-2-methylphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 156843482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).