4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione

C6H11N3O5 — CID 107849778

IUPAC4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C(CO)(CO)CO
InChIInChI=1S/C6H11N3O5/c10-1-6(2-11,3-12)9-4(13)7-8-5(9)14/h10-12H,1-3H2,(H,7,13)(H,8,14)
InChIKeyIWFBKPRYVZMMPW-UHFFFAOYSA-N
MW205.17 g/mol
LogP-3.46
Rot. Bonds4

About 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione

4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107849778) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID107849778
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C(CO)(CO)CO
InChIInChI=1S/C6H11N3O5/c10-1-6(2-11,3-12)9-4(13)7-8-5(9)14/h10-12H,1-3H2,(H,7,13)(H,8,14)
InChIKeyIWFBKPRYVZMMPW-UHFFFAOYSA-N
XLogP-3.46
TPSA131.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-3.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
CID 107409960
4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
CID 107409950
3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1H-imidazol-2-one
CID 107866926
4-[1-(hydroxymethyl)cyclopropyl]-1,2,4-triazolidine-3,5-dione
CID 107409973
2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
CID 107409501
4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 106146156
4-(2-hydroxy-2-methylbutyl)-1,2,4-triazolidine-3,5-dione
CID 107409933
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
CID 107849864
4-(2-amino-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
CID 107410051
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
CID 107849713
1-(4-hydroxy-2-methylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 118650572
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114008911

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione (CID 107849778) is 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1C(CO)(CO)CO.
What is the InChIKey of 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is IWFBKPRYVZMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O5/c10-1-6(2-11,3-12)9-4(13)7-8-5(9)14/h10-12H,1-3H2,(H,7,13)(H,8,14).
What are the key properties of 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione?
4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 205.17 g/mol, XLogP of -3.46, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107849778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).