3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione

C12H15N5O3 — CID 66067262

IUPAC3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H15N5O3/c1-2-9-11(19)15-10(18)6-17(9)12(20)8-5-7(16-13)3-4-14-8/h3-5,9H,2,6,13H2,1H3,(H,14,16)(H,15,18,19)
InChIKeyXZGIWBSGKCMZQE-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.76
Rot. Bonds3

About 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione

3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione (PubChem CID 66067262) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
PubChem CID66067262
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H15N5O3/c1-2-9-11(19)15-10(18)6-17(9)12(20)8-5-7(16-13)3-4-14-8/h3-5,9H,2,6,13H2,1H3,(H,14,16)(H,15,18,19)
InChIKeyXZGIWBSGKCMZQE-UHFFFAOYSA-N
XLogP-0.76
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.76
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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Related Compounds

4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067569
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
(4-ethylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62242778
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63600752
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione (CID 66067262) is 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(NN)ccn1.
What is the InChIKey of 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is XZGIWBSGKCMZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-2-9-11(19)15-10(18)6-17(9)12(20)8-5-7(16-13)3-4-14-8/h3-5,9H,2,6,13H2,1H3,(H,14,16)(H,15,18,19).
What are the key properties of 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 277.28 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66067262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).