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3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione structure

CAS No:
1501-47-9
Formula:
C5H4N6O2
Chemical Name:
3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
Synonyms:
3-aminopyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione;NSC21958;3-amino-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione;DTXSID60417872;ZINC5274756;NSC-21958;STK689396;AKOS005227563;MCULE-4781105087;DS-012389

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3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Basic Attributes

Molecular Weight：

180.127

Exact Mass：

180.04

NSC Number：

21958

DSSTox ID：

DTXSID60417872

Characteristics

PSA：

123

XLogP3：

-2

Computed Properties

Molecular Weight:180.12
XLogP3:-2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Exact Mass:180.03957339
Monoisotopic Mass:180.03957339
Topological Polar Surface Area:123
Heavy Atom Count:13
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

Basic Attributes
Characteristics
Computed Properties

3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

SDS

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