6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

C10H13ClF3N3O — CID 63833895

IUPAC6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCOCC(F)(F)F)c1C
InChIInChI=1S/C10H13ClF3N3O/c1-6-7(2)9(17-16-8(6)11)15-3-4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,17)
InChIKeyJVDJQUXABVRHAV-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.74
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (PubChem CID 63833895) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
PubChem CID63833895
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCOCC(F)(F)F)c1C
InChIInChI=1S/C10H13ClF3N3O/c1-6-7(2)9(17-16-8(6)11)15-3-4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,17)
InChIKeyJVDJQUXABVRHAV-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (CID 63833895) is 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is Cc1c(Cl)nnc(NCCOCC(F)(F)F)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The InChIKey is JVDJQUXABVRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-6-7(2)9(17-16-8(6)11)15-3-4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine has a molecular weight of 283.68 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is sourced from PubChem (CID 63833895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).