[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C13H17ClN4O2 — CID 56804298

IUPAC[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-11-8-15-9-12(16-11)17-3-5-18(6-4-17)13(19)10-2-1-7-20-10/h8-10H,1-7H2
InChIKeyZQMXHXBIOJNMHS-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.96
Rot. Bonds2

About [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 56804298) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID56804298
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-11-8-15-9-12(16-11)17-3-5-18(6-4-17)13(19)10-2-1-7-20-10/h8-10H,1-7H2
InChIKeyZQMXHXBIOJNMHS-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone 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 [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 56804298) is [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ZQMXHXBIOJNMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-11-8-15-9-12(16-11)17-3-5-18(6-4-17)13(19)10-2-1-7-20-10/h8-10H,1-7H2.
What are the key properties of [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 296.76 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 56804298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).