Name: Name:3-(chloromethyl)-7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
Brand: Angene
SKU: AG019YF5
Rating: 90 (10 reviews)

3-(chloromethyl)-7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

CAS No.:

1394042-50-2

Catalog Number:

AG019YF5

Molecular Formula:

C11H8ClN5O

Molecular Weight:

261.6671

Catalog Number:

AG019YF5

Chemical Name:

3-(chloromethyl)-7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

CAS Number:

1394042-50-2

Molecular Formula:

C11H8ClN5O

Molecular Weight:

261.6671

MDL Number:

MFCD22375216

IUPAC Name:

3-(chloromethyl)-7-phenylpyrazolo[3,4-d]triazin-4-one

InChI:

InChI=1S/C11H8ClN5O/c12-7-16-11(18)9-6-13-17(10(9)14-15-16)8-4-2-1-3-5-8/h1-6H,7H2

InChI Key:

DAKKYCKOQKHYBU-UHFFFAOYSA-N

SMILES:

ClCn1nnc2c(c1=O)cnn2c1ccccc1

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.669g/mol

Monoisotopic Mass:

261.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6