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

C7H14N4O2 — CID 107410011

IUPAC4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCC(C)NCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-5(2)8-3-4-11-6(12)9-10-7(11)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyFDOPCZBEOLYFLL-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.14
Rot. Bonds4

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

4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107410011) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107410011
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCC(C)NCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H14N4O2/c1-5(2)8-3-4-11-6(12)9-10-7(11)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyFDOPCZBEOLYFLL-UHFFFAOYSA-N
XLogP-1.14
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione (CID 107410011) is 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione is CC(C)NCCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is FDOPCZBEOLYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(2)8-3-4-11-6(12)9-10-7(11)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione?
4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 186.22 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)ethyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).