6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C13H12N4O — CID 12726835

IUPAC6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C13H12N4O/c1-9-14-15-13-7-6-12(16-17(9)13)10-4-3-5-11(8-10)18-2/h3-8H,1-2H3
InChIKeyRWQMGULQGDJJPV-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.11
Rot. Bonds2

About 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726835) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726835
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C13H12N4O/c1-9-14-15-13-7-6-12(16-17(9)13)10-4-3-5-11(8-10)18-2/h3-8H,1-2H3
InChIKeyRWQMGULQGDJJPV-UHFFFAOYSA-N
XLogP2.11
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
7-(3-Methoxyphenyl)-2-methyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819135
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726835) is 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is COc1cccc(-c2ccc3nnc(C)n3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RWQMGULQGDJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-14-15-13-7-6-12(16-17(9)13)10-4-3-5-11(8-10)18-2/h3-8H,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 240.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).