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

C10H13ClF3N3 — CID 55009137

IUPAC6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)N(CC(F)(F)F)c1ccc(CCl)nn1
InChIInChI=1S/C10H13ClF3N3/c1-7(2)17(6-10(12,13)14)9-4-3-8(5-11)15-16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyQGMFVWDXGLXLGV-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.99
Rot. Bonds4

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

6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55009137) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55009137
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)N(CC(F)(F)F)c1ccc(CCl)nn1
InChIInChI=1S/C10H13ClF3N3/c1-7(2)17(6-10(12,13)14)9-4-3-8(5-11)15-16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyQGMFVWDXGLXLGV-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55009137) is 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CC(C)N(CC(F)(F)F)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is QGMFVWDXGLXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-7(2)17(6-10(12,13)14)9-4-3-8(5-11)15-16-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 267.68 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55009137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).