1-(2-azidoethyl)-4-methylpiperazine-2,3-dione

C7H11N5O2 — CID 62928792

IUPAC1-(2-azidoethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCN=[N+]=[N-])C(=O)C1=O
InChIInChI=1S/C7H11N5O2/c1-11-4-5-12(3-2-9-10-8)7(14)6(11)13/h2-5H2,1H3
InChIKeyDYVHKHSKJLOOQD-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.40
Rot. Bonds3

About 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione

1-(2-azidoethyl)-4-methylpiperazine-2,3-dione (PubChem CID 62928792) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-methylpiperazine-2,3-dione
PubChem CID62928792
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name1-(2-azidoethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCN=[N+]=[N-])C(=O)C1=O
InChIInChI=1S/C7H11N5O2/c1-11-4-5-12(3-2-9-10-8)7(14)6(11)13/h2-5H2,1H3
InChIKeyDYVHKHSKJLOOQD-UHFFFAOYSA-N
XLogP-0.40
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione (CID 62928792) is 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione is CN1CCN(CCN=[N+]=[N-])C(=O)C1=O.
What is the InChIKey of 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione?
The InChIKey is DYVHKHSKJLOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-11-4-5-12(3-2-9-10-8)7(14)6(11)13/h2-5H2,1H3.
What are the key properties of 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione?
1-(2-azidoethyl)-4-methylpiperazine-2,3-dione has a molecular weight of 197.20 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 62928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).