4-(3-methoxypyrazin-2-yl)piperazin-2-one

C9H12N4O2 — CID 39767282

IUPAC4-(3-methoxypyrazin-2-yl)piperazin-2-one
SMILESCOc1nccnc1N1CCNC(=O)C1
InChIInChI=1S/C9H12N4O2/c1-15-9-8(11-2-3-12-9)13-5-4-10-7(14)6-13/h2-3H,4-6H2,1H3,(H,10,14)
InChIKeyGGFDGKVAMWVKFR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.58
Rot. Bonds2

About 4-(3-methoxypyrazin-2-yl)piperazin-2-one

4-(3-methoxypyrazin-2-yl)piperazin-2-one (PubChem CID 39767282) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(3-methoxypyrazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-methoxypyrazin-2-yl)piperazin-2-one
PubChem CID39767282
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-(3-methoxypyrazin-2-yl)piperazin-2-one
SMILESCOc1nccnc1N1CCNC(=O)C1
InChIInChI=1S/C9H12N4O2/c1-15-9-8(11-2-3-12-9)13-5-4-10-7(14)6-13/h2-3H,4-6H2,1H3,(H,10,14)
InChIKeyGGFDGKVAMWVKFR-UHFFFAOYSA-N
XLogP-0.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(3-methoxypyrazin-2-yl)piperazin-2-one (CID 39767282) is 4-(3-methoxypyrazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(3-methoxypyrazin-2-yl)piperazin-2-one is COc1nccnc1N1CCNC(=O)C1.
What is the InChIKey of 4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The InChIKey is GGFDGKVAMWVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-9-8(11-2-3-12-9)13-5-4-10-7(14)6-13/h2-3H,4-6H2,1H3,(H,10,14).
What are the key properties of 4-(3-methoxypyrazin-2-yl)piperazin-2-one?
4-(3-methoxypyrazin-2-yl)piperazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrazin-2-yl)piperazin-2-one is sourced from PubChem (CID 39767282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).