 Home > Encyclopedia > 4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile

4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile

4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile structure

CAS No:
325745-50-4
Formula:
C11H11F3N4O
Chemical Name:
4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile
Synonyms:
Enamine_001182;HMS2717D13;MCULE-6746582823;Z56795183;325745-50-4;4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-butenenitrile;4,4,4-trifluoro-3-hydroxy-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}but-2-enenitrile

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4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile Basic Attributes

Molecular Weight：

272.23 g/mol

Exact Mass：

272.08849547 g/mol

Characteristics

PSA：

74.7 Å²

Computed Properties

Molecular Weight:272.23
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:272.08849547
Monoisotopic Mass:272.08849547
Topological Polar Surface Area:74.7
Heavy Atom Count:19
Complexity:425
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4,4-trifluoro-3-hydroxy-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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