2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one

C14H24N4O — CID 126913372

IUPAC2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)CN1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C14H24N4O/c1-13(2)12-17-8-6-16(7-9-17)10-11-18-14(19)4-3-5-15-18/h3-5,13H,6-12H2,1-2H3
InChIKeySMQAWIMBKKLNGX-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913372) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913372
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)CN1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C14H24N4O/c1-13(2)12-17-8-6-16(7-9-17)10-11-18-14(19)4-3-5-15-18/h3-5,13H,6-12H2,1-2H3
InChIKeySMQAWIMBKKLNGX-UHFFFAOYSA-N
XLogP0.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913372) is 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one is CC(C)CN1CCN(CCn2ncccc2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is SMQAWIMBKKLNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2)12-17-8-6-16(7-9-17)10-11-18-14(19)4-3-5-15-18/h3-5,13H,6-12H2,1-2H3.
What are the key properties of 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 264.37 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).