3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine

C7H8Cl2FN3 — CID 130504278

IUPAC3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine
SMILESFCCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2FN3/c8-6-4-5(7(9)13-12-6)11-3-1-2-10/h4H,1-3H2,(H,11,12)
InChIKeyKAOGMQUFPPZTFV-UHFFFAOYSA-N
MW224.07 g/mol
LogP2.55
Rot. Bonds4

About 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine

3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine (PubChem CID 130504278) has the molecular formula C7H8Cl2FN3 and a molecular weight of 224.07 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine
PubChem CID130504278
Molecular FormulaC7H8Cl2FN3
Molecular Weight224.07 g/mol
Exact Mass223.01
IUPAC Name3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine
SMILESFCCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2FN3/c8-6-4-5(7(9)13-12-6)11-3-1-2-10/h4H,1-3H2,(H,11,12)
InChIKeyKAOGMQUFPPZTFV-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-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 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine (CID 130504278) is 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine is FCCCNc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine?
The InChIKey is KAOGMQUFPPZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2FN3/c8-6-4-5(7(9)13-12-6)11-3-1-2-10/h4H,1-3H2,(H,11,12).
What are the key properties of 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine?
3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine has a molecular weight of 224.07 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine is sourced from PubChem (CID 130504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).