4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one

C8H13N5O2 — CID 22075242

IUPAC4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=C(Cn1cn[nH]c1=O)N1CCNCC1
InChIInChI=1S/C8H13N5O2/c14-7(12-3-1-9-2-4-12)5-13-6-10-11-8(13)15/h6,9H,1-5H2,(H,11,15)
InChIKeyMHMPOVVRAZUQNV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-2.00
Rot. Bonds2

About 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one

4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 22075242) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID22075242
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=C(Cn1cn[nH]c1=O)N1CCNCC1
InChIInChI=1S/C8H13N5O2/c14-7(12-3-1-9-2-4-12)5-13-6-10-11-8(13)15/h6,9H,1-5H2,(H,11,15)
InChIKeyMHMPOVVRAZUQNV-UHFFFAOYSA-N
XLogP-2.00
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]-1,1-diethylurea
CID 20501570
3-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]-1,1-dimethylurea
CID 20501571
3-(5,6-dioxo-1H-1,2,4-triazin-4-yl)propylurea
CID 54075073
2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
CID 54166910
N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]-2-(methylamino)acetamide
CID 54303093
2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
CID 54357549
2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethylurea
CID 54359625
1-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]-3-methylurea
CID 54562895
4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 67714362
5,6,7,8a-tetrahydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 90402510
3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 90996840
1-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]-3-ethylurea
CID 173429588

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one (CID 22075242) is 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one is O=C(Cn1cn[nH]c1=O)N1CCNCC1.
What is the InChIKey of 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is MHMPOVVRAZUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-7(12-3-1-9-2-4-12)5-13-6-10-11-8(13)15/h6,9H,1-5H2,(H,11,15).
What are the key properties of 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 211.22 g/mol, XLogP of -2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 22075242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).