[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine

C11H16F3N3O — CID 80507834

IUPAC[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C11H16F3N3O/c1-3-7-8(5-15)10(17-16-9(7)4-2)18-6-11(12,13)14/h3-6,15H2,1-2H3
InChIKeyJKYIAKDVZXXJHU-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.00
Rot. Bonds5

About [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (PubChem CID 80507834) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
PubChem CID80507834
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C11H16F3N3O/c1-3-7-8(5-15)10(17-16-9(7)4-2)18-6-11(12,13)14/h3-6,15H2,1-2H3
InChIKeyJKYIAKDVZXXJHU-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (CID 80507834) is [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is CCc1nnc(OCC(F)(F)F)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The InChIKey is JKYIAKDVZXXJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-7-8(5-15)10(17-16-9(7)4-2)18-6-11(12,13)14/h3-6,15H2,1-2H3.
What are the key properties of [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).