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

C9H11ClF3N3 — CID 63271550

IUPAC6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C9H11ClF3N3/c1-5-6(2)8(15-14-7(5)10)16(3)4-9(11,12)13/h4H2,1-3H3
InChIKeyJBIRDSXFFUFXQG-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.75
Rot. Bonds2

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

6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 63271550) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID63271550
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C9H11ClF3N3/c1-5-6(2)8(15-14-7(5)10)16(3)4-9(11,12)13/h4H2,1-3H3
InChIKeyJBIRDSXFFUFXQG-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 63271550) is 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1c(Cl)nnc(N(C)CC(F)(F)F)c1C.
What is the InChIKey of 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is JBIRDSXFFUFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-5-6(2)8(15-14-7(5)10)16(3)4-9(11,12)13/h4H2,1-3H3.
What are the key properties of 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 253.65 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 63271550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).