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2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile

2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile structure

CAS No:
5466-72-8
Formula:
C13H11N7
Chemical Name:
2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile
Synonyms:
NSC26380;[(4z)-5-amino-4-imino-1-phenyl-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile;CTK5A2181;DTXSID10282532;ZINC1628382;NSC-26380;1H-Pyrazolo[3,4-d]pyrimidine-3-acetonitrile,5-amino-4,5-dihydro-4-imino-1-phenyl-

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2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile Basic Attributes

Molecular Weight：

265.27334

Exact Mass：

265.108

NSC Number：

26380

DSSTox ID：

DTXSID10282532

Characteristics

PSA：

107

XLogP3：

0.2

Computed Properties

Molecular Weight:265.27
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:265.10759338
Monoisotopic Mass:265.10759338
Topological Polar Surface Area:107
Heavy Atom Count:20
Complexity:459
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile

Basic Attributes
Characteristics
Computed Properties

2-(4-amino-5-imino-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-7-yl)acetonitrile

SDS

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