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

C16H24N4O2 — CID 122278622

IUPAC6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C16H24N4O2/c1-12(2)18-7-9-19(10-8-18)16(22)11-20-15(21)6-5-14(17-20)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyIYEOKAOCTIIHDY-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.67
Rot. Bonds4

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

6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 122278622) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID122278622
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C16H24N4O2/c1-12(2)18-7-9-19(10-8-18)16(22)11-20-15(21)6-5-14(17-20)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyIYEOKAOCTIIHDY-UHFFFAOYSA-N
XLogP0.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 122278622) is 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is CC(C)N1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is IYEOKAOCTIIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)18-7-9-19(10-8-18)16(22)11-20-15(21)6-5-14(17-20)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 122278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).