1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione

C10H11N3O2 — CID 6539163

IUPAC1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C10H11N3O2/c1-11-9(14)13(10(15)12(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyPCBZEWNZJVJTIO-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.13
Rot. Bonds1

About 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione

1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 6539163) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID6539163
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C10H11N3O2/c1-11-9(14)13(10(15)12(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyPCBZEWNZJVJTIO-UHFFFAOYSA-N
XLogP-0.13
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 6539163) is 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)n(-c2ccccc2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is PCBZEWNZJVJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-9(14)13(10(15)12(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 205.22 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 6539163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).