Chemical ID: 5842154

Cc1ccc(c(c1)NC(=O)c2nc[nH]n2)C
Chemical ID:
5842154
Name [?]:
N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2nc[nH]n2)C
InChi [?]:
InChI=1/C11H12N4O/c1-7-3-4-8(2)9(5-7)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,3,4,7,13,2,5,6,11,9,12,14,8,15,10/rA:16nCCCCCCCNCOCNCNNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d11s14;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.65148
Area:394.481
Solvation:-2.21055
Coulombic:-38.8956
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.239
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.89
LogP (Chemaxon):2.06

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Descriptor Annotations

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