3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol

C11H18N4O2 — CID 4539069

IUPAC3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O2/c16-9-10(17)8-14-3-5-15(6-4-14)11-7-12-1-2-13-11/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyPGDZOSDCBDJOKQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.05
Rot. Bonds4

About 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol

3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol (PubChem CID 4539069) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol
PubChem CID4539069
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O2/c16-9-10(17)8-14-3-5-15(6-4-14)11-7-12-1-2-13-11/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyPGDZOSDCBDJOKQ-UHFFFAOYSA-N
XLogP-1.05
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol (CID 4539069) is 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol is OCC(O)CN1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is PGDZOSDCBDJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-9-10(17)8-14-3-5-15(6-4-14)11-7-12-1-2-13-11/h1-2,7,10,16-17H,3-6,8-9H2.
What are the key properties of 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol?
3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol has a molecular weight of 238.29 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazin-2-ylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 4539069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).