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

C12H13F2N3O — CID 64691979

IUPAC6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccccc2OC(F)F)=NN=C1N
InChIInChI=1S/C12H13F2N3O/c1-7-6-9(16-17-11(7)15)8-4-2-3-5-10(8)18-12(13)14/h2-5,7,12H,6H2,1H3,(H2,15,17)
InChIKeyPMWWXUKDPFKKIB-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.39
Rot. Bonds3

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

6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 64691979) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
PubChem CID64691979
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccccc2OC(F)F)=NN=C1N
InChIInChI=1S/C12H13F2N3O/c1-7-6-9(16-17-11(7)15)8-4-2-3-5-10(8)18-12(13)14/h2-5,7,12H,6H2,1H3,(H2,15,17)
InChIKeyPMWWXUKDPFKKIB-UHFFFAOYSA-N
XLogP2.39
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.39
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]-4-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine (CID 64691979) is 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine is CC1CC(c2ccccc2OC(F)F)=NN=C1N.
What is the InChIKey of 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is PMWWXUKDPFKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7-6-9(16-17-11(7)15)8-4-2-3-5-10(8)18-12(13)14/h2-5,7,12H,6H2,1H3,(H2,15,17).
What are the key properties of 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 253.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64691979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).