4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione

C10H13N5O2 — CID 66062201

IUPAC4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
SMILESNNc1ncccc1CN1CC(=O)NC(=O)C1
InChIInChI=1S/C10H13N5O2/c11-14-10-7(2-1-3-12-10)4-15-5-8(16)13-9(17)6-15/h1-3H,4-6,11H2,(H,12,14)(H,13,16,17)
InChIKeyGXQXJYWRLBEYCJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.17
Rot. Bonds3

About 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione

4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione (PubChem CID 66062201) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
PubChem CID66062201
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
SMILESNNc1ncccc1CN1CC(=O)NC(=O)C1
InChIInChI=1S/C10H13N5O2/c11-14-10-7(2-1-3-12-10)4-15-5-8(16)13-9(17)6-15/h1-3H,4-6,11H2,(H,12,14)(H,13,16,17)
InChIKeyGXQXJYWRLBEYCJ-UHFFFAOYSA-N
XLogP-1.17
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.17
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione (CID 66062201) is 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione is NNc1ncccc1CN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione?
The InChIKey is GXQXJYWRLBEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-14-10-7(2-1-3-12-10)4-15-5-8(16)13-9(17)6-15/h1-3H,4-6,11H2,(H,12,14)(H,13,16,17).
What are the key properties of 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione?
4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione has a molecular weight of 235.25 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66062201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).