6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine

C13H12F3N3O — CID 178030175

IUPAC6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCOc1ccc(-c2ccc(N)nn2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-2-20-11-5-3-8(7-9(11)13(14,15)16)10-4-6-12(17)19-18-10/h3-7H,2H2,1H3,(H2,17,19)
InChIKeyVLZFTSVSHHFXAK-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.14
Rot. Bonds3

About 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine

6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 178030175) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID178030175
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCOc1ccc(-c2ccc(N)nn2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-2-20-11-5-3-8(7-9(11)13(14,15)16)10-4-6-12(17)19-18-10/h3-7H,2H2,1H3,(H2,17,19)
InChIKeyVLZFTSVSHHFXAK-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 178030175) is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine is CCOc1ccc(-c2ccc(N)nn2)cc1C(F)(F)F.
What is the InChIKey of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is VLZFTSVSHHFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-20-11-5-3-8(7-9(11)13(14,15)16)10-4-6-12(17)19-18-10/h3-7H,2H2,1H3,(H2,17,19).
What are the key properties of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 283.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 178030175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).