4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one

C9H14N6O — CID 103060800

IUPAC4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
SMILESNNc1cnc(CN2CCNC(=O)C2)cn1
InChIInChI=1S/C9H14N6O/c10-14-8-4-12-7(3-13-8)5-15-2-1-11-9(16)6-15/h3-4H,1-2,5-6,10H2,(H,11,16)(H,13,14)
InChIKeyPQRYQJBNQLFKGU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.31
Rot. Bonds3

About 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one

4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one (PubChem CID 103060800) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
PubChem CID103060800
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
SMILESNNc1cnc(CN2CCNC(=O)C2)cn1
InChIInChI=1S/C9H14N6O/c10-14-8-4-12-7(3-13-8)5-15-2-1-11-9(16)6-15/h3-4H,1-2,5-6,10H2,(H,11,16)(H,13,14)
InChIKeyPQRYQJBNQLFKGU-UHFFFAOYSA-N
XLogP-1.31
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one (CID 103060800) is 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one is NNc1cnc(CN2CCNC(=O)C2)cn1.
What is the InChIKey of 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one?
The InChIKey is PQRYQJBNQLFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c10-14-8-4-12-7(3-13-8)5-15-2-1-11-9(16)6-15/h3-4H,1-2,5-6,10H2,(H,11,16)(H,13,14).
What are the key properties of 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one?
4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one has a molecular weight of 222.25 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 103060800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).