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

C9H12F3N3O — CID 61098831

IUPAC[5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCC(F)(F)F)c(CN)c1C
InChIInChI=1S/C9H12F3N3O/c1-5-6(2)14-15-8(7(5)3-13)16-4-9(10,11)12/h3-4,13H2,1-2H3
InChIKeyMVPROSAZOQSQGZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.49
Rot. Bonds3

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

[5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (PubChem CID 61098831) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
PubChem CID61098831
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name[5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCC(F)(F)F)c(CN)c1C
InChIInChI=1S/C9H12F3N3O/c1-5-6(2)14-15-8(7(5)3-13)16-4-9(10,11)12/h3-4,13H2,1-2H3
InChIKeyMVPROSAZOQSQGZ-UHFFFAOYSA-N
XLogP1.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (CID 61098831) is [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is Cc1nnc(OCC(F)(F)F)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The InChIKey is MVPROSAZOQSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-6(2)14-15-8(7(5)3-13)16-4-9(10,11)12/h3-4,13H2,1-2H3.
What are the key properties of [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine has a molecular weight of 235.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 61098831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).