N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H10Cl2N6 — CID 155806828

IUPACN-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Cl)c1Nc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C16H10Cl2N6/c17-11-2-1-3-12(18)15(11)20-13-4-5-14-21-22-16(24(14)23-13)10-6-8-19-9-7-10/h1-9H,(H,20,23)
InChIKeyFBQGIPXQGZHTCN-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.24
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 155806828) has the molecular formula C16H10Cl2N6 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID155806828
Molecular FormulaC16H10Cl2N6
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Cl)c1Nc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C16H10Cl2N6/c17-11-2-1-3-12(18)15(11)20-13-4-5-14-21-22-16(24(14)23-13)10-6-8-19-9-7-10/h1-9H,(H,20,23)
InChIKeyFBQGIPXQGZHTCN-UHFFFAOYSA-N
XLogP4.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine 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 N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 155806828) is N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Clc1cccc(Cl)c1Nc1ccc2nnc(-c3ccncc3)n2n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FBQGIPXQGZHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6/c17-11-2-1-3-12(18)15(11)20-13-4-5-14-21-22-16(24(14)23-13)10-6-8-19-9-7-10/h1-9H,(H,20,23).
What are the key properties of N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 357.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 155806828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).