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

C6H12N4O2 — CID 164775127

IUPAC4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCN(C)CCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H12N4O2/c1-9(2)3-4-10-5(11)7-8-6(10)12/h3-4H2,1-2H3,(H,7,11)(H,8,12)
InChIKeyFHASDDLCYCZHSF-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.57
Rot. Bonds3

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

4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 164775127) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione
PubChem CID164775127
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCN(C)CCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H12N4O2/c1-9(2)3-4-10-5(11)7-8-6(10)12/h3-4H2,1-2H3,(H,7,11)(H,8,12)
InChIKeyFHASDDLCYCZHSF-UHFFFAOYSA-N
XLogP-1.57
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione (CID 164775127) is 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione is CN(C)CCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is FHASDDLCYCZHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-9(2)3-4-10-5(11)7-8-6(10)12/h3-4H2,1-2H3,(H,7,11)(H,8,12).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 172.19 g/mol, XLogP of -1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 164775127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).