4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one

C12H10F3N3O — CID 54766055

IUPAC4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(19)17-18-11(7)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyMHZOROHNIMNXAM-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.84
Rot. Bonds2

About 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one

4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one (PubChem CID 54766055) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
PubChem CID54766055
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(19)17-18-11(7)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyMHZOROHNIMNXAM-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
5-nitro-4-[3-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 135585649
6-methyl-5-nitro-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 67339476
N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide
CID 145090390
4-N-(2-methylphenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 22531903
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
1-[4-[(4-oxo-3H-phthalazin-1-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 162514679
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
7-iodo-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 146484443

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one (CID 54766055) is 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one?
The InChIKey is MHZOROHNIMNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-5-10(19)17-18-11(7)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one?
4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one has a molecular weight of 269.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one is sourced from PubChem (CID 54766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).