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Chemical ID: 5139331
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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