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Chemical ID: 5021190
Chemical ID:
5021190
Name [?]:
N-(2,6-dimethylphenyl)-2-(1H-triazol-4-ylamino)acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CNc2c[nH]nn2)C
InChi [?]:
InChI=1/C12H15N5O/c1-8-4-3-5-9(2)12(8)15-11(18)7-13-10-6-14-17-16-10/h3-6H,7H2,1-2H3,(H,15,18)(H2,13,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,4,3,5,14,11,2,6,13,9,7,12,15,8,17,16,10/E:(1,2)(4,5)(8,9)/rA:18nCCCCCCCNCOCNCCNNNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;s15;s13d16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N5O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.17368 |
Area: | 438.762 |
Solvation: | -3.79536 |
Coulombic: | -40.1243 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.1 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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