Name: Name:5-chloro-3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Brand: Angene
SKU: AG01BVOB
Rating: 90 (10 reviews)

5-chloro-3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

CAS No.:

1627180-59-9

Catalog Number:

AG01BVOB

Molecular Formula:

C12H10ClN5O

Molecular Weight:

275.6937

Catalog Number:

AG01BVOB

Chemical Name:

5-chloro-3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

CAS Number:

1627180-59-9

Molecular Formula:

C12H10ClN5O

Molecular Weight:

275.6937

MDL Number:

MFCD30497598

IUPAC Name:

5-chloro-3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidine

InChI:

InChI=1S/C12H10ClN5O/c1-2-19-9-5-3-8(4-6-9)18-11-10(16-17-18)7-14-12(13)15-11/h3-7H,2H2,1H3

InChI Key:

PEXXCTFDZVJAAY-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)n1nnc2c1nc(Cl)nc2

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.696g/mol

Monoisotopic Mass:

275.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7