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3-(3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile

3-(3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile structure

CAS No:
4336-33-8
Formula:
C6H6N4O2
Chemical Name:
3-(3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile
Synonyms:
4336-33-8;ST50982144;NSC360177;CHEMBL4540513;DTXSID80320475;ZINC1584613;AKOS022637127;MCULE-7092912223;NSC-360177;3-(3,5-dioxo-4H-1,2,4-triazin-2-yl)propanenitrile

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3-(3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile Basic Attributes

Molecular Weight：

166.14 g/mol

Exact Mass：

166.04907545 g/mol

NSC Number：

360177

DSSTox ID：

DTXSID80320475

Characteristics

PSA：

85.6 Å²

Computed Properties

Molecular Weight:166.14
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.04907545
Monoisotopic Mass:166.04907545
Topological Polar Surface Area:85.6
Heavy Atom Count:12
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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