5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

C12H10F3N3O — CID 71369722

IUPAC5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1
InChIInChI=1S/C12H10F3N3O/c1-16-9-6-11(19)18(17-7-9)10-4-2-3-8(5-10)12(13,14)15/h2-7,16H,1H3
InChIKeyFWQLREQTFINKHF-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.29
Rot. Bonds2

About 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 71369722) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID71369722
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1
InChIInChI=1S/C12H10F3N3O/c1-16-9-6-11(19)18(17-7-9)10-4-2-3-8(5-10)12(13,14)15/h2-7,16H,1H3
InChIKeyFWQLREQTFINKHF-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-hydroxypyridazin-3-one;5-hydroxy-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 158971239
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
5-cyano-N-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23320436
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one (CID 71369722) is 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one is CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is FWQLREQTFINKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-16-9-6-11(19)18(17-7-9)10-4-2-3-8(5-10)12(13,14)15/h2-7,16H,1H3.
What are the key properties of 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 269.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 71369722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).