Name: Name:3-bromo-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: Angene
SKU: AG01B5EJ
Rating: 90 (10 reviews)

3-bromo-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:

22354-81-0

Catalog Number:

AG01B5EJ

Molecular Formula:

C4H6BrN3O

Molecular Weight:

192.0139

Catalog Number:

AG01B5EJ

Chemical Name:

3-bromo-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS Number:

22354-81-0

Molecular Formula:

C4H6BrN3O

Molecular Weight:

192.0139

MDL Number:

MFCD30342766

IUPAC Name:

5-bromo-2,4-dimethyl-1,2,4-triazol-3-one

InChI:

InChI=1S/C4H6BrN3O/c1-7-3(5)6-8(2)4(7)9/h1-2H3

InChI Key:

OZJQZJVHJNOTFG-UHFFFAOYSA-N

SMILES:

Brc1nn(c(=O)n1C)C

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.016g/mol

Monoisotopic Mass:

190.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7