2-methyl-5-(trifluoromethyl)pyridazin-3-one

C6H5F3N2O — CID 22508455

IUPAC2-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCn1ncc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-5(12)2-4(3-10-11)6(7,8)9/h2-3H,1H3
InChIKeyQCKOWJNQXCNZKN-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.80
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)pyridazin-3-one

2-methyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 22508455) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID22508455
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCn1ncc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-5(12)2-4(3-10-11)6(7,8)9/h2-3H,1H3
InChIKeyQCKOWJNQXCNZKN-UHFFFAOYSA-N
XLogP0.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one
CID 22968956
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521690
6-Bromo-2-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 156069580
2-Tert-butyl-5-(trifluoromethyl)pyridazin-3-one
CID 167172098
2,5-Dimethyl-4-(trifluoromethyl)pyridazin-3-one
CID 169818330
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
Trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
CID 106549182
2-(Difluoromethyl)-5-iodopyridazin-3-one
CID 114553367
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(trifluoromethyl)pyridazin-3-one (CID 22508455) is 2-methyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)pyridazin-3-one is Cn1ncc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is QCKOWJNQXCNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-11-5(12)2-4(3-10-11)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)pyridazin-3-one?
2-methyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 178.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 22508455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).