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

C12H15F3N2O — CID 171492755

IUPAC7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one
SMILESCCCC1(C)CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-3-5-11(2)6-4-7-8(12(13,14)15)10(18)17-16-9(7)11/h3-6H2,1-2H3,(H,17,18)
InChIKeyRLWBWSAIVHLLNN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.79
Rot. Bonds2

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

7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one (PubChem CID 171492755) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one
PubChem CID171492755
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one
SMILESCCCC1(C)CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-3-5-11(2)6-4-7-8(12(13,14)15)10(18)17-16-9(7)11/h3-6H2,1-2H3,(H,17,18)
InChIKeyRLWBWSAIVHLLNN-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one (CID 171492755) is 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one is CCCC1(C)CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The InChIKey is RLWBWSAIVHLLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-5-11(2)6-4-7-8(12(13,14)15)10(18)17-16-9(7)11/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one?
7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one has a molecular weight of 260.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).