Chemical ID: 5021190

Cc1cccc(c1NC(=O)CNc2c[nH]nn2)C
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

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