3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one

C7H7F3N2O — CID 171492858

IUPAC3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(F)(F)F)c1C
InChIInChI=1S/C7H7F3N2O/c1-3-4(2)11-12-6(13)5(3)7(8,9)10/h1-2H3,(H,12,13)
InChIKeyPACSKCRPUYPCDR-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.41
Rot. Bonds

About 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one

3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 171492858) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID171492858
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(F)(F)F)c1C
InChIInChI=1S/C7H7F3N2O/c1-3-4(2)11-12-6(13)5(3)7(8,9)10/h1-2H3,(H,12,13)
InChIKeyPACSKCRPUYPCDR-UHFFFAOYSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 171492858) is 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is PACSKCRPUYPCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-3-4(2)11-12-6(13)5(3)7(8,9)10/h1-2H3,(H,12,13).
What are the key properties of 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 192.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171492858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).