Name: Name:2-(bromomethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Brand: Angene
SKU: AG01A60Y
Rating: 90 (10 reviews)

2-(bromomethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS No.:

1461706-31-9

Catalog Number:

AG01A60Y

Molecular Formula:

C7H7BrN4O

Molecular Weight:

243.0607

Catalog Number:

AG01A60Y

Chemical Name:

2-(bromomethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS Number:

1461706-31-9

Molecular Formula:

C7H7BrN4O

Molecular Weight:

243.0607

MDL Number:

MFCD26407567

IUPAC Name:

2-(bromomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

InChI:

InChI=1S/C7H7BrN4O/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12/h2H,3H2,1H3,(H,9,10,11)

InChI Key:

XORDKVBKDNMUCU-UHFFFAOYSA-N

SMILES:

Cc1cc(=O)n2c([nH]1)nc(n2)CBr

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.064g/mol

Monoisotopic Mass:

241.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3