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

C6H11N3O4 — CID 107409960

IUPAC4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
SMILESCC(CO)(CO)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O4/c1-6(2-10,3-11)9-4(12)7-8-5(9)13/h10-11H,2-3H2,1H3,(H,7,12)(H,8,13)
InChIKeyWPCGLFROIHUQLA-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.44
Rot. Bonds3

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

4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409960) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409960
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
SMILESCC(CO)(CO)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O4/c1-6(2-10,3-11)9-4(12)7-8-5(9)13/h10-11H,2-3H2,1H3,(H,7,12)(H,8,13)
InChIKeyWPCGLFROIHUQLA-UHFFFAOYSA-N
XLogP-2.44
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 ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione (CID 107409960) is 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione is CC(CO)(CO)n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is WPCGLFROIHUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-6(2-10,3-11)9-4(12)7-8-5(9)13/h10-11H,2-3H2,1H3,(H,7,12)(H,8,13).
What are the key properties of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 189.17 g/mol, XLogP of -2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).