Name: Name:1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01E8FS
Rating: 90 (10 reviews)

1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

1094377-59-9

Catalog Number:

AG01E8FS

Molecular Formula:

C9H12N4O

Molecular Weight:

192.2178

Catalog Number:

AG01E8FS

Chemical Name:

1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

1094377-59-9

Molecular Formula:

C9H12N4O

Molecular Weight:

192.2178

MDL Number:

MFCD11207433

IUPAC Name:

1-tert-butyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C9H12N4O/c1-9(2,3)13-7-6(4-12-13)8(14)11-5-10-7/h4-5H,1-3H3,(H,10,11,14)

InChI Key:

ZZRIVNFFUGROHS-UHFFFAOYSA-N

SMILES:

O=c1[nH]cnc2c1cnn2C(C)(C)C

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.222g/mol

Monoisotopic Mass:

192.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6