4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione

C9H9N3O3 — CID 107409902

IUPAC4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C9H9N3O3/c13-7-3-1-6(2-4-7)5-12-8(14)10-11-9(12)15/h1-4,13H,5H2,(H,10,14)(H,11,15)
InChIKeyMXJGIEVTLKYCGC-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.38
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione

4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409902) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409902
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C9H9N3O3/c13-7-3-1-6(2-4-7)5-12-8(14)10-11-9(12)15/h1-4,13H,5H2,(H,10,14)(H,11,15)
InChIKeyMXJGIEVTLKYCGC-UHFFFAOYSA-N
XLogP-0.38
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione (CID 107409902) is 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is MXJGIEVTLKYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7-3-1-6(2-4-7)5-12-8(14)10-11-9(12)15/h1-4,13H,5H2,(H,10,14)(H,11,15).
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione?
4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 207.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).