N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine

C16H17Cl2N3 — CID 46226430

IUPACN-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine
SMILESClc1cccc(-c2ccc(NC3CCCCC3)nn2)c1Cl
InChIInChI=1S/C16H17Cl2N3/c17-13-8-4-7-12(16(13)18)14-9-10-15(21-20-14)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,21)
InChIKeyJEVAVZIQIWXBLG-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.20
Rot. Bonds3

About N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine

N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine (PubChem CID 46226430) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine
PubChem CID46226430
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC NameN-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine
SMILESClc1cccc(-c2ccc(NC3CCCCC3)nn2)c1Cl
InChIInChI=1S/C16H17Cl2N3/c17-13-8-4-7-12(16(13)18)14-9-10-15(21-20-14)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,21)
InChIKeyJEVAVZIQIWXBLG-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-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-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine?
The IUPAC name of N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine (CID 46226430) is N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine?
The canonical SMILES for N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine is Clc1cccc(-c2ccc(NC3CCCCC3)nn2)c1Cl.
What is the InChIKey of N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine?
The InChIKey is JEVAVZIQIWXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-13-8-4-7-12(16(13)18)14-9-10-15(21-20-14)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,21).
What are the key properties of N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine?
N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine has a molecular weight of 322.24 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2,3-dichlorophenyl)pyridazin-3-amine is sourced from PubChem (CID 46226430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).