6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C10H13ClF3N3 — CID 55009038

IUPAC6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1ccc(CCl)nn1
InChIInChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)9-4-3-8(6-11)15-16-9/h3-4H,2,5-7H2,1H3
InChIKeyNEJSYFBINIIRNQ-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.99
Rot. Bonds5

About 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55009038) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55009038
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1ccc(CCl)nn1
InChIInChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)9-4-3-8(6-11)15-16-9/h3-4H,2,5-7H2,1H3
InChIKeyNEJSYFBINIIRNQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55009038) is 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCCN(CC(F)(F)F)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is NEJSYFBINIIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)9-4-3-8(6-11)15-16-9/h3-4H,2,5-7H2,1H3.
What are the key properties of 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 267.68 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55009038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).