2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione

C6H5F3N2O2 — CID 138715422

IUPAC2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione
SMILESCn1[nH]c(=O)cc(C(F)(F)F)c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-5(13)3(6(7,8)9)2-4(12)10-11/h2H,1H3,(H,10,12)
InChIKeyYXKFBMIPBYFUMT-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.09
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione

2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione (PubChem CID 138715422) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione
PubChem CID138715422
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione
SMILESCn1[nH]c(=O)cc(C(F)(F)F)c1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-5(13)3(6(7,8)9)2-4(12)10-11/h2H,1H3,(H,10,12)
InChIKeyYXKFBMIPBYFUMT-UHFFFAOYSA-N
XLogP0.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione (CID 138715422) is 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione is Cn1[nH]c(=O)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione?
The InChIKey is YXKFBMIPBYFUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-11-5(13)3(6(7,8)9)2-4(12)10-11/h2H,1H3,(H,10,12).
What are the key properties of 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione?
2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione has a molecular weight of 194.11 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 138715422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).