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Imidazo[1,5-a][1,3,5]triazin-4-amine

HCID 10240855
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Basic information

CAS
145837-65-6
Standard SMILES
Nc1ncnc2cncn12
InChIKey
WCFSULCGTIFUHL-UHFFFAOYSA-N
Molecular formula
C5H5N5
Average molar mass
135.13 g/mol
Monoisotopic mass
135.05449518

Names & identifiers

Preferred name
Imidazo[1,5-a][1,3,5]triazin-4-amine
IUPAC
imidazo[1,5-a][1,3,5]triazin-4-amine
English name
Imidazo[1,5-a]-1,3,5-triazin-4-amine (9CI)
Molecular formula
C5H5N5
Molecular weight
135.13

Names & synonyms

imidazo[1,5-a][1,3,5]triazin-4-amine145837-65-6Imidazo[1,5-a]-1,3,5-triazin-4-amineImidazo[1,5-a]-1,3,5-triazin-4-amine (9CI)SCHEMBL400695DTXSID00437099AKOS006359914DB-265243

Database identifiers

CAS
145837-65-6
PubChem CID
10240855
DTXSID
DTXSID00437099

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
69.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
127

Physicochemical properties

Density
1.74 · 1.74±0.1 g/cm3(Predicted)
pka
3.2 · 3.20±0.30(Predicted)

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