Irsogladine

C9H7Cl2N5CAS 57381-26-7256.09 g/mol

Open in Covalent MOL file
NHNClClNHHNHN
Aryl halide

Properties

Molecular formula
C9H7Cl2N5
Molar mass
256.09 g/mol
Exact mass
255.0079 Da
Melting point
268–269 °C
logP
1.67Crippen estimate
Polar surface area
92.2 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
57381-26-7
SMILES
N=c1nc(-c2cc(Cl)ccc2Cl)[nH]c(=N)[nH]1
InChIKey
ATCGGEJZONJOCL-UHFFFAOYSA-N
InChI
InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-
  • 6-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
  • 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine
  • 2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine
  • Dicloguamine

Work with Irsogladine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate84504-69-8Salt

Similar compounds

2,2',5,5'-Tetrachlorobiphenyl35693-99-347 % similar Benzoguanamine91-76-945 % similar 2-Amino-5-chlorobenzimidazole5418-93-944 % similar PCB 3116606-02-342 % similar 6-Chloro-1,3,5-triazine-2,4-diamine3397-62-442 % similar 1,2,4-Trichlorobenzene120-82-136 % similar Acetoguanamine542-02-935 % similar Chlorfenazole3574-96-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Lamotrigine84057-84-1 2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide84689-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia