N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine

C13H12F3N3O — CID 139386397

IUPACN-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine
SMILESCN(C)Oc1cc(C(F)(F)F)nnc1-c1ccccc1
InChIInChI=1S/C13H12F3N3O/c1-19(2)20-10-8-11(13(14,15)16)17-18-12(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyQGJCJMXEDAJBQV-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.02
Rot. Bonds3

About N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine

N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine (PubChem CID 139386397) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine.

Molecular Properties

Compound NameN-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine
PubChem CID139386397
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine
SMILESCN(C)Oc1cc(C(F)(F)F)nnc1-c1ccccc1
InChIInChI=1S/C13H12F3N3O/c1-19(2)20-10-8-11(13(14,15)16)17-18-12(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyQGJCJMXEDAJBQV-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine?
The IUPAC name of N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine (CID 139386397) is N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine.
What is the SMILES notation for N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine?
The canonical SMILES for N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine is CN(C)Oc1cc(C(F)(F)F)nnc1-c1ccccc1.
What is the InChIKey of N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine?
The InChIKey is QGJCJMXEDAJBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-19(2)20-10-8-11(13(14,15)16)17-18-12(10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine?
N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine has a molecular weight of 283.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]oxymethanamine is sourced from PubChem (CID 139386397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).