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Chemical ID: 6676970
Chemical ID:
6676970
Name [?]:
N-(p-tolyl)-2H-1,2,4-triazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2[nH]ncn2
InChi [?]:
InChI=1/C10H10N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h2-6H,1H3,(H,13,15)(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,2,5,11,9,15,13,8,12,10/E:(2,3)(4,5)/rA:15nCCCCCCCNCOCNNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;d11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N4O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35966 |
Area: | 377.424 |
Solvation: | -2.07595 |
Coulombic: | -38.6714 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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