4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione

C9H9N3O3 — CID 17233930

IUPAC4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCOc1ccccc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-15-7-5-3-2-4-6(7)12-8(13)10-11-9(12)14/h2-5H,1H3,(H,10,13)(H,11,14)
InChIKeyKNMJXDFGVBCDGF-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.14
Rot. Bonds2

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

4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 17233930) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID17233930
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCOc1ccccc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-15-7-5-3-2-4-6(7)12-8(13)10-11-9(12)14/h2-5H,1H3,(H,10,13)(H,11,14)
InChIKeyKNMJXDFGVBCDGF-UHFFFAOYSA-N
XLogP-0.14
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione (CID 17233930) is 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione is COc1ccccc1-n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is KNMJXDFGVBCDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-7-5-3-2-4-6(7)12-8(13)10-11-9(12)14/h2-5H,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione?
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 207.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 17233930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).