4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione

C6H11N3O4 — CID 107409950

IUPAC4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(O)(CO)Cn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O4/c1-6(13,3-10)2-9-4(11)7-8-5(9)12/h10,13H,2-3H2,1H3,(H,7,11)(H,8,12)
InChIKeyGDZBSZIOQSUWOM-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.39
Rot. Bonds3

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

4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409950) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409950
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(O)(CO)Cn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O4/c1-6(13,3-10)2-9-4(11)7-8-5(9)12/h10,13H,2-3H2,1H3,(H,7,11)(H,8,12)
InChIKeyGDZBSZIOQSUWOM-UHFFFAOYSA-N
XLogP-2.39
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxy-2-methylbutyl)-1,2,4-triazolidine-3,5-dione
CID 107409933
4-(2-hydroxy-2,4-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 107409948
4-(2-amino-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
CID 107410051
1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
CID 79885402
4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 106146156
4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
CID 107409960
1,3,5-tris(2-hydroxy-2-methylbutyl)-1,3,5-triazinane-2,4,6-trione
CID 163733491
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 104550408
tert-butyl 3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoate
CID 10889691
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
4-(3-hydroxypentyl)-1,2,4-triazolidine-3,5-dione
CID 107409971

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione (CID 107409950) is 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione is CC(O)(CO)Cn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is GDZBSZIOQSUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-6(13,3-10)2-9-4(11)7-8-5(9)12/h10,13H,2-3H2,1H3,(H,7,11)(H,8,12).
What are the key properties of 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione?
4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 189.17 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).