Chemical ID: 6676970

Cc1ccc(cc1)NC(=O)c2[nH]ncn2
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

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Descriptor Annotations

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