6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine

C7H7ClF3N3 — CID 114478119

IUPAC6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
SMILESFC(F)(F)CCNc1cnnc(Cl)c1
InChIInChI=1S/C7H7ClF3N3/c8-6-3-5(4-13-14-6)12-2-1-7(9,10)11/h3-4H,1-2H2,(H,12,14)
InChIKeyYLDZBUPEJIPLMN-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine

6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine (PubChem CID 114478119) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
PubChem CID114478119
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
SMILESFC(F)(F)CCNc1cnnc(Cl)c1
InChIInChI=1S/C7H7ClF3N3/c8-6-3-5(4-13-14-6)12-2-1-7(9,10)11/h3-4H,1-2H2,(H,12,14)
InChIKeyYLDZBUPEJIPLMN-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(3,3,3-trifluoropropyl)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 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine (CID 114478119) is 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine is FC(F)(F)CCNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine?
The InChIKey is YLDZBUPEJIPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c8-6-3-5(4-13-14-6)12-2-1-7(9,10)11/h3-4H,1-2H2,(H,12,14).
What are the key properties of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine?
6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine is sourced from PubChem (CID 114478119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).