1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one

C10H6F3N3O — CID 172763933

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)9-2-1-7(5-14-9)16-4-3-8(17)6-15-16/h1-6H
InChIKeyMBEYMQDEEKXVEJ-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.65
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one

1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one (PubChem CID 172763933) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one
PubChem CID172763933
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)9-2-1-7(5-14-9)16-4-3-8(17)6-15-16/h1-6H
InChIKeyMBEYMQDEEKXVEJ-UHFFFAOYSA-N
XLogP1.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one (CID 172763933) is 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one is O=c1ccn(-c2ccc(C(F)(F)F)nc2)nc1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one?
The InChIKey is MBEYMQDEEKXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)9-2-1-7(5-14-9)16-4-3-8(17)6-15-16/h1-6H.
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one?
1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one has a molecular weight of 241.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one is sourced from PubChem (CID 172763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).