2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C9H9F3N2O — CID 171492846

IUPAC2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCn1nc2c(c(C(F)(F)F)c1=O)CCC2
InChIInChI=1S/C9H9F3N2O/c1-14-8(15)7(9(10,11)12)5-3-2-4-6(5)13-14/h2-4H2,1H3
InChIKeyLQHMTJMEQUJVEY-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.29
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 171492846) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID171492846
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCn1nc2c(c(C(F)(F)F)c1=O)CCC2
InChIInChI=1S/C9H9F3N2O/c1-14-8(15)7(9(10,11)12)5-3-2-4-6(5)13-14/h2-4H2,1H3
InChIKeyLQHMTJMEQUJVEY-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;propane
CID 171492845
2-(2,2,2-trifluoroethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126857420
7-(Dimethylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493506
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
2-Methyl-6,7-dihydro-2H-cyclopenta[c]pyridazin-3(5H)-one
CID 15532374
5-Ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 171492846) is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cn1nc2c(c(C(F)(F)F)c1=O)CCC2.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is LQHMTJMEQUJVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-14-8(15)7(9(10,11)12)5-3-2-4-6(5)13-14/h2-4H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 218.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171492846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).