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

C7H14N4O2 — CID 150991312

IUPAC4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione
SMILESCN(C)CCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-10(2)4-3-5-11-6(12)8-9-7(11)13/h3-5H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyLSEFLWWBGHGNQJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.18
Rot. Bonds4

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

4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 150991312) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione
PubChem CID150991312
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione
SMILESCN(C)CCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-10(2)4-3-5-11-6(12)8-9-7(11)13/h3-5H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyLSEFLWWBGHGNQJ-UHFFFAOYSA-N
XLogP-1.18
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione (CID 150991312) is 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione is CN(C)CCCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is LSEFLWWBGHGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-10(2)4-3-5-11-6(12)8-9-7(11)13/h3-5H2,1-2H3,(H,8,12)(H,9,13).
What are the key properties of 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione?
4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 186.21 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 150991312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).