6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C8H9ClF3N3 — CID 63271501

IUPAC6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCC(F)(F)F)c1C
InChIInChI=1S/C8H9ClF3N3/c1-4-5(2)7(15-14-6(4)9)13-3-8(10,11)12/h3H2,1-2H3,(H,13,15)
InChIKeyROERKSGDCQLEFR-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.72
Rot. Bonds2

About 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 63271501) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID63271501
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCC(F)(F)F)c1C
InChIInChI=1S/C8H9ClF3N3/c1-4-5(2)7(15-14-6(4)9)13-3-8(10,11)12/h3H2,1-2H3,(H,13,15)
InChIKeyROERKSGDCQLEFR-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 63271501) is 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCC(F)(F)F)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is ROERKSGDCQLEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-4-5(2)7(15-14-6(4)9)13-3-8(10,11)12/h3H2,1-2H3,(H,13,15).
What are the key properties of 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 239.63 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 63271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).