3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one

C12H16FN5O2 — CID 105388347

IUPAC3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H16FN5O2/c1-2-8-11(19)16-5-6-18(8)12(20)7-3-4-15-10(17-14)9(7)13/h3-4,8H,2,5-6,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyYZLJFOMIIOVWSY-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.14
Rot. Bonds3

About 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one

3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one (PubChem CID 105388347) has the molecular formula C12H16FN5O2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
PubChem CID105388347
Molecular FormulaC12H16FN5O2
Molecular Weight281.29 g/mol
Exact Mass281.13
IUPAC Name3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H16FN5O2/c1-2-8-11(19)16-5-6-18(8)12(20)7-3-4-15-10(17-14)9(7)13/h3-4,8H,2,5-6,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyYZLJFOMIIOVWSY-UHFFFAOYSA-N
XLogP-0.14
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
3-ethyl-4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)piperazin-2-one
CID 81249127
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one (CID 105388347) is 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccnc(NN)c1F.
What is the InChIKey of 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one?
The InChIKey is YZLJFOMIIOVWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O2/c1-2-8-11(19)16-5-6-18(8)12(20)7-3-4-15-10(17-14)9(7)13/h3-4,8H,2,5-6,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one?
3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one has a molecular weight of 281.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 105388347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).