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3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one structure

CAS No:
561004-32-8
Formula:
C10H9N7OS
Chemical Name:
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
Synonyms:
MLS000335644;SMR000253398;CHEMBL1366285;BDBM45600;cid_2121353;HMS2684D24;ZINC12732886;AKOS005860447;MCULE-2203482133;3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one;SR-01000053632;SR-01000053632-1;Z18357255;3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one;3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one;3-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,4-dihydro-1,2,3-benzotriazin-4-one;561004-32-8

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3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Basic Attributes

Molecular Weight：

275.29 g/mol

Exact Mass：

275.05892911 g/mol

Characteristics

PSA：

138 Å²

Water Solubility：

24.8 [ug/mL]

Computed Properties

Molecular Weight:275.29
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:275.05892911
Monoisotopic Mass:275.05892911
Topological Polar Surface Area:138
Heavy Atom Count:19
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Basic Attributes
Characteristics
Computed Properties

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