3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C12H10F3N3O — CID 10221045

IUPAC3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)
InChIKeyMRMGTEKECRMLOG-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.14
Rot. Bonds1

About 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 10221045) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID10221045
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)
InChIKeyMRMGTEKECRMLOG-UHFFFAOYSA-N
XLogP2.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 10221045) is 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is MRMGTEKECRMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17).
What are the key properties of 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 269.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 10221045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).