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4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile

4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile structure

CAS No:
721888-81-9
Formula:
C15H16N4O
Chemical Name:
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile
Synonyms:
Enamine_004388;MLS001004883;CHEMBL1462614;HMS1406H10;HMS2674D13;ZINC3299648;AKOS005198727;MCULE-9043680195;SMR000348421;SR-01000037203;SR-01000037203-1;Z56865137;4-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methoxy)benzonitrile;721888-81-9

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4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile Basic Attributes

Molecular Weight：

268.31 g/mol

Exact Mass：

268.13241115 g/mol

Characteristics

PSA：

63.7 Å²

Water Solubility：

37 [ug/mL]

Computed Properties

Molecular Weight:268.31
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:268.13241115
Monoisotopic Mass:268.13241115
Topological Polar Surface Area:63.7
Heavy Atom Count:20
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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