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Home> Hot Product Listed O   > OPREA1_116551
875001-46-0 structure

OPREA1_116551

Iupac Name:[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CAS No.:875001-46-0
Molecular Weight:245.304
Molecular Formula:C18H22N4O2 (isomer)
Names and Identifiers
Synonyms

6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1h-pyrimidin-4-one 6-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4-ol AC1LXXOH AKOS005382577 BG02010801 MOLPORT-000-819-959 MOLPORT-002-641-407 STK037071 STOCK5S-41681 ZINC17042612

Inchi
InChI=1S/C11H11N5S/c1-7-13-14-11-16(7)15-10(17-11)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3
InChkey
WYXRKZMSYYCHSL-UHFFFAOYSA-N
Canonical Smiles
CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CN
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:245.304g/mol
  • Molecular Formula:C18H22N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:245.074
  • Monoisotopic Mass:245.074
  • Complexity:269
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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