4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione

C8H14N4O2 — CID 107410003

IUPAC4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione
SMILESNC1CCCCC1n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C8H14N4O2/c9-5-3-1-2-4-6(5)12-7(13)10-11-8(12)14/h5-6H,1-4,9H2,(H,10,13)(H,11,14)
InChIKeyJLKBDDFDDCRKHS-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.69
Rot. Bonds1

About 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione

4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107410003) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107410003
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione
SMILESNC1CCCCC1n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C8H14N4O2/c9-5-3-1-2-4-6(5)12-7(13)10-11-8(12)14/h5-6H,1-4,9H2,(H,10,13)(H,11,14)
InChIKeyJLKBDDFDDCRKHS-UHFFFAOYSA-N
XLogP-0.69
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione (CID 107410003) is 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione is NC1CCCCC1n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is JLKBDDFDDCRKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-5-3-1-2-4-6(5)12-7(13)10-11-8(12)14/h5-6H,1-4,9H2,(H,10,13)(H,11,14).
What are the key properties of 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione?
4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).