6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one

C16H20F3N3O2 — CID 122279083

IUPAC6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCC(C(F)(F)F)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H20F3N3O2/c1-10(22-14(23)5-4-13(20-22)11-2-3-11)15(24)21-8-6-12(7-9-21)16(17,18)19/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyJONQSUALXJTXJN-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.48
Rot. Bonds3

About 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one

6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one (PubChem CID 122279083) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one
PubChem CID122279083
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCC(C(F)(F)F)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H20F3N3O2/c1-10(22-14(23)5-4-13(20-22)11-2-3-11)15(24)21-8-6-12(7-9-21)16(17,18)19/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyJONQSUALXJTXJN-UHFFFAOYSA-N
XLogP2.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-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 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one (CID 122279083) is 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one is CC(C(=O)N1CCC(C(F)(F)F)CC1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one?
The InChIKey is JONQSUALXJTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(22-14(23)5-4-13(20-22)11-2-3-11)15(24)21-8-6-12(7-9-21)16(17,18)19/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one has a molecular weight of 343.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]pyridazin-3-one is sourced from PubChem (CID 122279083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).