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

C12H13F2N3 — CID 113328609

IUPAC6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccc(C(F)F)cc2)=NN=C1N
InChIInChI=1S/C12H13F2N3/c1-7-6-10(16-17-12(7)15)8-2-4-9(5-3-8)11(13)14/h2-5,7,11H,6H2,1H3,(H2,15,17)
InChIKeyUFIHKKFCFAYRMX-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.73
Rot. Bonds2

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

6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 113328609) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
PubChem CID113328609
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccc(C(F)F)cc2)=NN=C1N
InChIInChI=1S/C12H13F2N3/c1-7-6-10(16-17-12(7)15)8-2-4-9(5-3-8)11(13)14/h2-5,7,11H,6H2,1H3,(H2,15,17)
InChIKeyUFIHKKFCFAYRMX-UHFFFAOYSA-N
XLogP2.73
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine (CID 113328609) is 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine is CC1CC(c2ccc(C(F)F)cc2)=NN=C1N.
What is the InChIKey of 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is UFIHKKFCFAYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-6-10(16-17-12(7)15)8-2-4-9(5-3-8)11(13)14/h2-5,7,11H,6H2,1H3,(H2,15,17).
What are the key properties of 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine?
6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 237.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)phenyl]-4-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 113328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).