6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C7H7ClN4 — CID 602696

IUPAC6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc2nnc(C)n2nc1Cl
InChIInChI=1S/C7H7ClN4/c1-4-3-6-10-9-5(2)12(6)11-7(4)8/h3H,1-2H3
InChIKeyJJVDQWUJQPZRGP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.39
Rot. Bonds

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

6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 602696) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID602696
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc2nnc(C)n2nc1Cl
InChIInChI=1S/C7H7ClN4/c1-4-3-6-10-9-5(2)12(6)11-7(4)8/h3H,1-2H3
InChIKeyJJVDQWUJQPZRGP-UHFFFAOYSA-N
XLogP1.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3,7-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-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 613657
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1472385
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 313624
3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine
CID 1482346
6-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine
CID 1489114
6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 911387
6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 71756812
6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144393
6-Chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
6-Chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 4146965
3-Bromo-6-chloro-(1,2,4)triazolo(4,3-b)pyridazine
CID 3770603
6-Chloro-(1,2,4)triazolo(1,5-b)pyridazine
CID 11240611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 602696) is 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc2nnc(C)n2nc1Cl.
What is the InChIKey of 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JJVDQWUJQPZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-3-6-10-9-5(2)12(6)11-7(4)8/h3H,1-2H3.
What are the key properties of 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 182.61 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 602696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).