71749-37-6
C₅H₅N₅·135.130 g/mol·CID 5468431
IUPAC: N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide
Also known as: N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide, (Z)-N-(2-Amino-1,2-dicyanovinyl)formimidamide, NSC670237, Temozolomide Impurity 11, SCHEMBL8464879 (+4 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
135.130g/mol
Exact Mass
135.054495Da
Monoisotopic Mass
135.054495Da
XLogP
-1.3
Polar Surface Area
112.0Ų
Complexity
267
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 135.1 g/mol
MW ≤ 500
✓ -1.3
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/c6-1-4(9)5(2-7)10-3-8/h3H,9H2,(H2,8,10)/b5-4-
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
1H-imidazo[4,5-d]pyridazin-4-amine
CID 5469585 · 135.1 g/mol
tetrazolo[1,5-a]pyridin-6-amine
CID 346456 · 135.1 g/mol