1-Methyl-1,2,4-triazolidine-3,5-dione

HCID 179212

Notes Reactions

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Basic information

CAS: 34771-28-3
Standard SMILES: Cn1[nH]c(=O)[nH]c1=O
InChIKey: NENDRBATLNDSTO-UHFFFAOYSA-N
Molecular formula: C3H5N3O2
Average molar mass: 115.09 g/mol
Monoisotopic mass: 115.0381764

Names & identifiers

Preferred name: 1-Methyl-1,2,4-triazolidine-3,5-dione
IUPAC: 1-methyl-1,2,4-triazolidine-3,5-dione

Names & synonyms

1-methyl-1,2,4-triazolidine-3,5-dione34771-28-31-Methylurazole1,2,4-Triazolidine-3,5-dione, 1-methyl-NSC-133111Bicarbamimide, 2-methyl-NSC133111NSC 133111Q5P8249HRFSCHEMBL2079526SCHEMBL11359448SCHEMBL16694952

Show more names

DTXSID20956252NENDRBATLNDSTO-UHFFFAOYSA-NAKOS034035498AT21268N-methyl-1,3,5-triazoline-2,4-dione1-methyl-[1,2,4]triazolidine-3,5-dioneEN300-371065Z1262691921

Database identifiers

CAS: 34771-28-3
PubChem CID: 179212
DTXSID: DTXSID20956252
UNII: Q5P8249HRF
Nikkaji: J345.991H

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 143

Related reactions

2 records

New reaction record

HRID 154404As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1180112As reactantuspto-grants-2007_10

Compound notes

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