3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H6F3N3O — CID 57364033

IUPAC3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-5-8(15-16-9(7)17)6-1-3-14-4-2-6/h1-5H,(H,16,17)
InChIKeyRNMHLKMXTSHXDM-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.85
Rot. Bonds1

About 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one

3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 57364033) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID57364033
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-5-8(15-16-9(7)17)6-1-3-14-4-2-6/h1-5H,(H,16,17)
InChIKeyRNMHLKMXTSHXDM-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 57364033) is 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is RNMHLKMXTSHXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)7-5-8(15-16-9(7)17)6-1-3-14-4-2-6/h1-5H,(H,16,17).
What are the key properties of 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one?
3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 241.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 57364033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).