[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

C13H12F3N3O — CID 106550477

IUPAC[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnnc(Oc2ccc(CN)cc2C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c1-8-4-12(19-18-7-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyGKQARGLTHHZDQB-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.05
Rot. Bonds3

About [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 106550477) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
PubChem CID106550477
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnnc(Oc2ccc(CN)cc2C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O/c1-8-4-12(19-18-7-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyGKQARGLTHHZDQB-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (CID 106550477) is [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is Cc1cnnc(Oc2ccc(CN)cc2C(F)(F)F)c1.
What is the InChIKey of [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GKQARGLTHHZDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-4-12(19-18-7-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3.
What are the key properties of [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106550477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).