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

C10H12N4O2 — CID 107410015

IUPAC4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
SMILESNC(Cn1c(=O)[nH][nH]c1=O)c1ccccc1
InChIInChI=1S/C10H12N4O2/c11-8(7-4-2-1-3-5-7)6-14-9(15)12-13-10(14)16/h1-5,8H,6,11H2,(H,12,15)(H,13,16)
InChIKeyVTHDJNMWVGCWKT-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.44
Rot. Bonds3

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

4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107410015) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107410015
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
SMILESNC(Cn1c(=O)[nH][nH]c1=O)c1ccccc1
InChIInChI=1S/C10H12N4O2/c11-8(7-4-2-1-3-5-7)6-14-9(15)12-13-10(14)16/h1-5,8H,6,11H2,(H,12,15)(H,13,16)
InChIKeyVTHDJNMWVGCWKT-UHFFFAOYSA-N
XLogP-0.44
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16783269
1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
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1-(2-amino-2-phenylethyl)pyridin-2-one;hydrochloride
CID 91662965
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
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1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
CID 114760507
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217
2-(2-amino-2-phenylethyl)-3-methylideneisoindol-1-one
CID 63120879
3-[(2R)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one;3-[(2S)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one
CID 76964990
4-(3-phenylbutyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62988581
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione (CID 107410015) is 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione is NC(Cn1c(=O)[nH][nH]c1=O)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is VTHDJNMWVGCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-8(7-4-2-1-3-5-7)6-14-9(15)12-13-10(14)16/h1-5,8H,6,11H2,(H,12,15)(H,13,16).
What are the key properties of 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione?
4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 220.23 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).