1-deuterio-1-(N'-deuteriocarbamimidoyl)-3-(deuteriomethyl)-3-methylguanidine
C₄H₁₁N₅·132.180 g/mol·CID 91447464
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.180g/mol
Exact Mass
132.120276Da
Monoisotopic Mass
132.120276Da
XLogP
-1.1
Polar Surface Area
89.0Ų
Complexity
127
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 132.2 g/mol
MW ≤ 500
✓ -1.1
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)/i1D/hD2
Isomers8 compounds with formula C₄H₁₁N₅
3-(diaminomethylidene)-1,1-dimethylguanidine
CID 4091 · 129.2 g/mol
2-carbamimidoyl-1,1-dimethylguanidine
CID 155906370 · 129.2 g/mol
2-carbamimidoyl-1,1-dimethylguanidine
CID 152743144 · 129.2 g/mol
3-(diaminomethylidene)-1-methyl-1-(111C)methylguanidine
CID 73388104 · 128.2 g/mol
1-(diaminomethylidene)-2-ethylguanidine
CID 16446 · 129.2 g/mol
1-(diaminomethylidene)-2,3-dimethylguanidine
CID 54558175 · 129.2 g/mol
1-carbamimidoyl-1,2-dimethylguanidine
CID 3043660 · 129.2 g/mol
1,1,2,3-tetradeuterio-3-(N'-deuterio-N,N-dimethylcarbamimidoyl)guanidine
CID 138402679 · 134.2 g/mol