3,4-diaminopiperazine-2,6-dione

C4H8N4O2 — CID 139819967

IUPAC3,4-diaminopiperazine-2,6-dione
SMILESNC1C(=O)NC(=O)CN1N
InChIInChI=1S/C4H8N4O2/c5-3-4(10)7-2(9)1-8(3)6/h3H,1,5-6H2,(H,7,9,10)
InChIKeyLSYQNLMGWPQPET-UHFFFAOYSA-N
MW144.13 g/mol
LogP-2.90
Rot. Bonds

About 3,4-diaminopiperazine-2,6-dione

3,4-diaminopiperazine-2,6-dione (PubChem CID 139819967) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3,4-diaminopiperazine-2,6-dione.

Molecular Properties

Compound Name3,4-diaminopiperazine-2,6-dione
PubChem CID139819967
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name3,4-diaminopiperazine-2,6-dione
SMILESNC1C(=O)NC(=O)CN1N
InChIInChI=1S/C4H8N4O2/c5-3-4(10)7-2(9)1-8(3)6/h3H,1,5-6H2,(H,7,9,10)
InChIKeyLSYQNLMGWPQPET-UHFFFAOYSA-N
XLogP-2.90
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminopiperazine-2,6-dione?
The IUPAC name of 3,4-diaminopiperazine-2,6-dione (CID 139819967) is 3,4-diaminopiperazine-2,6-dione.
What is the SMILES notation for 3,4-diaminopiperazine-2,6-dione?
The canonical SMILES for 3,4-diaminopiperazine-2,6-dione is NC1C(=O)NC(=O)CN1N.
What is the InChIKey of 3,4-diaminopiperazine-2,6-dione?
The InChIKey is LSYQNLMGWPQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-3-4(10)7-2(9)1-8(3)6/h3H,1,5-6H2,(H,7,9,10).
What are the key properties of 3,4-diaminopiperazine-2,6-dione?
3,4-diaminopiperazine-2,6-dione has a molecular weight of 144.13 g/mol, XLogP of -2.90, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminopiperazine-2,6-dione is sourced from PubChem (CID 139819967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).