2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one

C9H11F3N2O — CID 162773660

IUPAC2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1nn(C)c(=O)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)8-6(9(10,11)12)4-7(15)14(3)13-8/h4-5H,1-3H3
InChIKeyRUQHAGWRMMOIBL-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.92
Rot. Bonds1

About 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one

2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 162773660) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID162773660
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1nn(C)c(=O)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)8-6(9(10,11)12)4-7(15)14(3)13-8/h4-5H,1-3H3
InChIKeyRUQHAGWRMMOIBL-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
CID 122547245
3-propan-2-yl-4-(trifluoromethyl)-1H-pyridazin-6-one
CID 138551387
2,6-Dimethyl-5-(trifluoromethyl)pyridazin-3-one
CID 138715792
4-(difluoromethyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 141654353
2-Methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one
CID 170588729
4-[(2S)-but-3-en-2-yl]-2-methyl-6-(trifluoromethyl)pyridazin-3-one
CID 170589116
4,6-Difluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172299327
5-Butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
CID 172614445
6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
6-Cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one
CID 71972038
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one (CID 162773660) is 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one is CC(C)c1nn(C)c(=O)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is RUQHAGWRMMOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)8-6(9(10,11)12)4-7(15)14(3)13-8/h4-5H,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 220.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 162773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).