4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione

C7H12N4O2 — CID 107410035

IUPAC4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione
SMILESNCC(C1CC1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-3-5(4-1-2-4)11-6(12)9-10-7(11)13/h4-5H,1-3,8H2,(H,9,12)(H,10,13)
InChIKeyXSERIKTZEOKGOK-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.23
Rot. Bonds3

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

4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107410035) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107410035
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione
SMILESNCC(C1CC1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-3-5(4-1-2-4)11-6(12)9-10-7(11)13/h4-5H,1-3,8H2,(H,9,12)(H,10,13)
InChIKeyXSERIKTZEOKGOK-UHFFFAOYSA-N
XLogP-1.23
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione (CID 107410035) is 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione is NCC(C1CC1)n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is XSERIKTZEOKGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-5(4-1-2-4)11-6(12)9-10-7(11)13/h4-5H,1-3,8H2,(H,9,12)(H,10,13).
What are the key properties of 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione?
4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 184.20 g/mol, XLogP of -1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-cyclopropylethyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).