3-piperazin-1-yl-1H-pyrazin-2-one

C8H12N4O — CID 56737793

IUPAC3-piperazin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8-7(10-1-2-11-8)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,11,13)
InChIKeyBBWVWTCMUVBTEQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.82
Rot. Bonds1

About 3-piperazin-1-yl-1H-pyrazin-2-one

3-piperazin-1-yl-1H-pyrazin-2-one (PubChem CID 56737793) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-pyrazin-2-one
PubChem CID56737793
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-piperazin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8-7(10-1-2-11-8)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,11,13)
InChIKeyBBWVWTCMUVBTEQ-UHFFFAOYSA-N
XLogP-0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-pyrazin-2-one?
The IUPAC name of 3-piperazin-1-yl-1H-pyrazin-2-one (CID 56737793) is 3-piperazin-1-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-1H-pyrazin-2-one?
The InChIKey is BBWVWTCMUVBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8-7(10-1-2-11-8)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,11,13).
What are the key properties of 3-piperazin-1-yl-1H-pyrazin-2-one?
3-piperazin-1-yl-1H-pyrazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-pyrazin-2-one is sourced from PubChem (CID 56737793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).