2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate

C₁₃H₁₁Cl₂N₅O₄CAS 84504-69-8372.16 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₁₁Cl₂N₅O₄
Molar mass: 372.16 g/mol
Exact mass: 371.0188 Da
Melting point: 205 °C (decomposes)
logP: 1.38Crippen estimate
Polar surface area: 166.8 Å²
H-bond donors / acceptors: 6 / 5
Rotatable bonds: 3

Identifiers

CAS number

84504-69-8

SMILES

N=c1nc(-c2cc(Cl)ccc2Cl)[nH]c(=N)[nH]1.O=C(O)/C=CC(=O)O

InChIKey

PJLVTVAIERNDEQ-BTJKTKAUSA-N

InChI

InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

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

Names and synonyms

6 names

1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (2Z)-2-butenedioate (1:1)
1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1)
MN 1695
Irsogladine maleate
Gaslon
Gaslon N

Work with 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate

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

Similar compounds

Irsogladine57381-26-773 % similar 3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-643 % similar 3,4-Dichlorocinnamic acid1202-39-737 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-637 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-237 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-837 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-337 % similar 4-Chlorocinnamic acid1615-02-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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