6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine

C13H15F2N3O — CID 64689910

IUPAC6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-2-8-7-11(16)17-18-12(8)9-5-3-4-6-10(9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17)
InChIKeyDETAURXUXFFCAK-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.78
Rot. Bonds4

About 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine

6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine (PubChem CID 64689910) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine
PubChem CID64689910
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-2-8-7-11(16)17-18-12(8)9-5-3-4-6-10(9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17)
InChIKeyDETAURXUXFFCAK-UHFFFAOYSA-N
XLogP2.78
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine (CID 64689910) is 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine is CCC1CC(N)=NN=C1c1ccccc1OC(F)F.
What is the InChIKey of 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine?
The InChIKey is DETAURXUXFFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-2-8-7-11(16)17-18-12(8)9-5-3-4-6-10(9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17).
What are the key properties of 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine?
6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine has a molecular weight of 267.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethoxy)phenyl]-5-ethyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64689910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).