4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione

C5H10N4O2 — CID 107410008

IUPAC4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCNCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H10N4O2/c1-6-2-3-9-4(10)7-8-5(9)11/h6H,2-3H2,1H3,(H,7,10)(H,8,11)
InChIKeyVVBJQRULLZODIK-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.92
Rot. Bonds3

About 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione

4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107410008) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107410008
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCNCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H10N4O2/c1-6-2-3-9-4(10)7-8-5(9)11/h6H,2-3H2,1H3,(H,7,10)(H,8,11)
InChIKeyVVBJQRULLZODIK-UHFFFAOYSA-N
XLogP-1.92
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione (CID 107410008) is 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione is CNCCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is VVBJQRULLZODIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-6-2-3-9-4(10)7-8-5(9)11/h6H,2-3H2,1H3,(H,7,10)(H,8,11).
What are the key properties of 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 158.16 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).