2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine

C9H10ClN5 — CID 173156210

IUPAC2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(Cl)nn2cnnc12
InChIInChI=1S/C9H10ClN5/c1-14(2)4-3-7-5-8(10)13-15-6-11-12-9(7)15/h3-6H,1-2H3
InChIKeyYBNWUHQNMKECQQ-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.31
Rot. Bonds2

About 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine

2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine (PubChem CID 173156210) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine
PubChem CID173156210
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(Cl)nn2cnnc12
InChIInChI=1S/C9H10ClN5/c1-14(2)4-3-7-5-8(10)13-15-6-11-12-9(7)15/h3-6H,1-2H3
InChIKeyYBNWUHQNMKECQQ-UHFFFAOYSA-N
XLogP1.31
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine 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 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine (CID 173156210) is 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine is CN(C)C=Cc1cc(Cl)nn2cnnc12.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine?
The InChIKey is YBNWUHQNMKECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-14(2)4-3-7-5-8(10)13-15-6-11-12-9(7)15/h3-6H,1-2H3.
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine?
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine has a molecular weight of 223.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 173156210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).