10310-25-5
C₅H₅N₅·135.130 g/mol·CID 5469585
IUPAC: 1H-imidazo[4,5-d]pyridazin-4-amine
Also known as: 1H-Imidazo[4,5-d]pyridazin-7-amine, 1H-imidazo[4,5-d]pyridazin-4-amine, 2-Aza-3'-deazaadenine HCl, NSC690569, 2-Aza-3-deazaadenine (+11 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
135.130g/mol
Exact Mass
135.054495Da
Monoisotopic Mass
135.054495Da
XLogP
-0.9
Polar Surface Area
80.5Ų
Complexity
127
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 135.1 g/mol
MW ≤ 500
✓ -0.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H5N5/c6-5-4-3(1-9-10-5)7-2-8-4/h1-2H,(H2,6,10)(H,7,8)
Isomers8 compounds with formula C₅H₅N₅
7H-purin-6-amine
CID 190 · 135.1 g/mol
7H-purin-2-amine
CID 9955 · 135.1 g/mol
1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420 · 135.1 g/mol
2-hydrazinylpyrimidine-5-carbonitrile
CID 1478409 · 135.1 g/mol
2,4-diaminopyrimidine-5-carbonitrile
CID 282115 · 135.1 g/mol
[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3161243 · 135.1 g/mol
tetrazolo[1,5-a]pyridin-6-amine
CID 346456 · 135.1 g/mol
N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide
CID 5468431 · 135.1 g/mol