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

C10H13ClN4 — CID 58045854

IUPAC6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10/h4-5H2,1-3H3
InChIKeyAKVDGMRUZMXCBK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.35
Rot. Bonds2

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

6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 58045854) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID58045854
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10/h4-5H2,1-3H3
InChIKeyAKVDGMRUZMXCBK-UHFFFAOYSA-N
XLogP2.35
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7,8-dimethyl-3-propyl-[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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 58045854) is 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine is CCCc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AKVDGMRUZMXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10/h4-5H2,1-3H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 224.69 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 58045854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).