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

C17H20N6O2 — CID 122160613

IUPAC6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)ccc1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O2/c24-15-5-4-14(13-2-3-13)20-23(15)12-16(25)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,13H,2-3,8-12H2
InChIKeyYBWZQZWITQPUTJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.26
Rot. Bonds4

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

6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 122160613) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID122160613
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)ccc1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O2/c24-15-5-4-14(13-2-3-13)20-23(15)12-16(25)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,13H,2-3,8-12H2
InChIKeyYBWZQZWITQPUTJ-UHFFFAOYSA-N
XLogP0.26
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 122160613) is 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is YBWZQZWITQPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15-5-4-14(13-2-3-13)20-23(15)12-16(25)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,13H,2-3,8-12H2.
What are the key properties of 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 340.39 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 122160613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).