4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one

C6H5F3N2O — CID 154577185

IUPAC4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c1-3-2-10-11-5(12)4(3)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeySLAQGWZINOAWKR-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.10
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one

4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 154577185) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID154577185
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c1-3-2-10-11-5(12)4(3)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeySLAQGWZINOAWKR-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 154577185) is 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one is Cc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is SLAQGWZINOAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-3-2-10-11-5(12)4(3)6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 178.11 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 154577185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).