5-(piperazine-1-carbonyl)-1H-pyrazin-2-one

C9H12N4O2 — CID 28788615

IUPAC5-(piperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-8-6-11-7(5-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,12,14)
InChIKeyKAIUQTDAOIYUKD-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.18
Rot. Bonds1

About 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one

5-(piperazine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 28788615) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID28788615
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(piperazine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-8-6-11-7(5-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,12,14)
InChIKeyKAIUQTDAOIYUKD-UHFFFAOYSA-N
XLogP-1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one (CID 28788615) is 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is KAIUQTDAOIYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-6-11-7(5-12-8)9(15)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H,12,14).
What are the key properties of 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one?
5-(piperazine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 28788615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).