6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C14H12Cl2N4 — CID 106861757

IUPAC6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4/c1-7-4-5-10(11(15)6-7)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3
InChIKeyMLLZWRPVKJWSRG-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.02
Rot. Bonds1

About 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 106861757) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID106861757
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4/c1-7-4-5-10(11(15)6-7)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3
InChIKeyMLLZWRPVKJWSRG-UHFFFAOYSA-N
XLogP4.02
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[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

6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81437855
6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442095
3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole
CID 81442402
3-(5-bromo-4-methylthiophen-2-yl)-6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81438732
6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442160
3-(chloromethyl)-5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole
CID 106864685
6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 81440331
6-chloro-7,8-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81438727
6-chloro-N,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 87444528
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81440751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 106861757) is 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)c(Cl)c1.
What is the InChIKey of 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MLLZWRPVKJWSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-7-4-5-10(11(15)6-7)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3.
What are the key properties of 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 307.18 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 106861757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).