 Home > Encyclopedia > 4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile

4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile

4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile structure

CAS No:
67433-63-0
Formula:
C13H8N8
Chemical Name:
4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile
Synonyms:
NSC349638;67433-63-0;UNII-R5474B3XL7;R5474B3XL7;4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile;4-(5-Methyltetraazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidin-9-yl)benzonitrile;NSC 349638;DTXSID30217780;ZINC1581386;NSC-349638;4-(5-methyl-[1,2,4]triazolo[[?]]tetrazolo[[?]]pyrimidin-9-yl)benzonitrile

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4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile Basic Attributes

Molecular Weight：

276.26 g/mol

Exact Mass：

276.08719229 g/mol

UNII：

R5474B3XL7

NSC Number：

349638

DSSTox ID：

DTXSID30217780

Characteristics

PSA：

98.1 Å²

Computed Properties

Molecular Weight:276.26
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:276.08719229
Monoisotopic Mass:276.08719229
Topological Polar Surface Area:98.1
Heavy Atom Count:21
Complexity:488
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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