5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine

C11H10F3N3 — CID 64689917

IUPAC5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine
SMILESCC1CC(N)=NN=C1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N3/c1-5-2-9(15)16-17-11(5)6-3-7(12)10(14)8(13)4-6/h3-5H,2H2,1H3,(H2,15,16)
InChIKeySVLJUSYJTHMSPS-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.20
Rot. Bonds1

About 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine

5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine (PubChem CID 64689917) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine
PubChem CID64689917
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine
SMILESCC1CC(N)=NN=C1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N3/c1-5-2-9(15)16-17-11(5)6-3-7(12)10(14)8(13)4-6/h3-5H,2H2,1H3,(H2,15,16)
InChIKeySVLJUSYJTHMSPS-UHFFFAOYSA-N
XLogP2.20
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine?
The IUPAC name of 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine (CID 64689917) is 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine is CC1CC(N)=NN=C1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine?
The InChIKey is SVLJUSYJTHMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-5-2-9(15)16-17-11(5)6-3-7(12)10(14)8(13)4-6/h3-5H,2H2,1H3,(H2,15,16).
What are the key properties of 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine?
5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine has a molecular weight of 241.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3,4,5-trifluorophenyl)-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64689917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).