4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one

C9H13N5O3 — CID 63600884

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1nonc1N
InChIInChI=1S/C9H13N5O3/c1-2-5-8(15)11-3-4-14(5)9(16)6-7(10)13-17-12-6/h5H,2-4H2,1H3,(H2,10,13)(H,11,15)
InChIKeyRXCWFKFJEMMAMW-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.00
Rot. Bonds2

About 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 63600884) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
PubChem CID63600884
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1nonc1N
InChIInChI=1S/C9H13N5O3/c1-2-5-8(15)11-3-4-14(5)9(16)6-7(10)13-17-12-6/h5H,2-4H2,1H3,(H2,10,13)(H,11,15)
InChIKeyRXCWFKFJEMMAMW-UHFFFAOYSA-N
XLogP-1.00
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63600417
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 66118459
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 55216513

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one (CID 63600884) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1nonc1N.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is RXCWFKFJEMMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-2-5-8(15)11-3-4-14(5)9(16)6-7(10)13-17-12-6/h5H,2-4H2,1H3,(H2,10,13)(H,11,15).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 239.23 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).