Name: Name:2-Pyrazinecarboxylic acid, 3,5-diamino-6-bromo-, methyl ester
Brand: Angene
SKU: AG001DFF
Rating: 90 (10 reviews)

2-Pyrazinecarboxylic acid, 3,5-diamino-6-bromo-, methyl ester

CAS No.:

1458-20-4

Catalog Number:

AG001DFF

Molecular Formula:

C6H7BrN4O2

Molecular Weight:

247.0494

Catalog Number:

AG001DFF

Chemical Name:

2-Pyrazinecarboxylic acid, 3,5-diamino-6-bromo-, methyl ester

CAS Number:

1458-20-4

Molecular Formula:

C6H7BrN4O2

Molecular Weight:

247.0494

MDL Number:

MFCD18914369

IUPAC Name:

methyl 3,5-diamino-6-bromopyrazine-2-carboxylate

InChI:

InChI=1S/C6H7BrN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)

InChI Key:

IVDQNAQLYWSLTG-UHFFFAOYSA-N

SMILES:

COC(=O)c1nc(Br)c(nc1N)N

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.975g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.052g/mol

Monoisotopic Mass:

245.975g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8