Chemical ID: 5139331

CNN=Nc1c(nc[nH]1)C(=O)N
Chemical ID:
5139331
Name [?]:
5-methylaminoazo-1H-imidazole-4-carboxamide
SMILES [?]:
CNN=Nc1c(nc[nH]1)C(=O)N
InChi [?]:
InChI=1/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,8,6,10,5,12,2,7,9,4,3,11/rA:12nCNNNCCNCNCON/rB:s1;s2;w3;s4;d5;s6;d7;s5s8;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H8N6O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.41627
Area:329.703
Solvation:-2.8263
Coulombic:-51.2001
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:168.157
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-0.91
LogP (Chemaxon):-0.81

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