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2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile

2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile structure

CAS No:
5466-71-7
Formula:
C13H10N6
Chemical Name:
2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile
Synonyms:
MLS000738060;NSC26379;SMR000393733;2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile;cid_230939;CHEMBL1442804;BDBM63815;CTK5A2180;DTXSID50282531;ZINC1628381

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2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile Basic Attributes

Molecular Weight：

250.265

Exact Mass：

250.097

NSC Number：

26379

DSSTox ID：

DTXSID50282531

Characteristics

PSA：

93.4

XLogP3：

1.2

Computed Properties

Molecular Weight:250.26
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:250.09669434
Monoisotopic Mass:250.09669434
Topological Polar Surface Area:93.4
Heavy Atom Count:19
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile

Basic Attributes
Characteristics
Computed Properties

2-(5-amino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)acetonitrile

SDS

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