6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine

C9H11ClF3N3 — CID 114478210

IUPAC6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine
SMILESFC(F)(F)CCCCNc1cnnc(Cl)c1
InChIInChI=1S/C9H11ClF3N3/c10-8-5-7(6-15-16-8)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,16)
InChIKeyHMXOTLZPBVUQRM-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.27
Rot. Bonds5

About 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine

6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine (PubChem CID 114478210) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine
PubChem CID114478210
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine
SMILESFC(F)(F)CCCCNc1cnnc(Cl)c1
InChIInChI=1S/C9H11ClF3N3/c10-8-5-7(6-15-16-8)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,16)
InChIKeyHMXOTLZPBVUQRM-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine (CID 114478210) is 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine is FC(F)(F)CCCCNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine?
The InChIKey is HMXOTLZPBVUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c10-8-5-7(6-15-16-8)14-4-2-1-3-9(11,12)13/h5-6H,1-4H2,(H,14,16).
What are the key properties of 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine?
6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine has a molecular weight of 253.65 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine is sourced from PubChem (CID 114478210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).