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

C9H13N5O3 — CID 55216513

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1nonc1N
InChIInChI=1S/C9H13N5O3/c1-9(2)8(16)11-3-4-14(9)7(15)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,16)
InChIKeyFGUNFWHAKIMUCW-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.00
Rot. Bonds1

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

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 55216513) 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)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID55216513
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1nonc1N
InChIInChI=1S/C9H13N5O3/c1-9(2)8(16)11-3-4-14(9)7(15)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,16)
InChIKeyFGUNFWHAKIMUCW-UHFFFAOYSA-N
XLogP-1.00
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (CID 55216513) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1nonc1N.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is FGUNFWHAKIMUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-9(2)8(16)11-3-4-14(9)7(15)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,16).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 239.23 g/mol, XLogP of -1.00, 1 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)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55216513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).