3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C6H6F3N3O — CID 133058287

IUPAC3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCNc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C6H6F3N3O/c1-10-4-2-3(6(7,8)9)5(13)12-11-4/h2H,1H3,(H,10,11)(H,12,13)
InChIKeyANHPDUXGMZKLKN-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.83
Rot. Bonds1

About 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 133058287) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID133058287
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCNc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C6H6F3N3O/c1-10-4-2-3(6(7,8)9)5(13)12-11-4/h2H,1H3,(H,10,11)(H,12,13)
InChIKeyANHPDUXGMZKLKN-UHFFFAOYSA-N
XLogP0.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 133058287) is 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is CNc1cc(C(F)(F)F)c(=O)[nH]n1.
What is the InChIKey of 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is ANHPDUXGMZKLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-10-4-2-3(6(7,8)9)5(13)12-11-4/h2H,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 193.13 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 133058287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).