Chemical ID: 4668921

c1ccc(cc1)NC(=O)c2[nH]ncn2
Chemical ID:
4668921
Name [?]:
N-phenyl-2H-1,2,4-triazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2[nH]ncn2
InChi [?]:
InChI=1/C9H8N4O/c14-9(8-10-6-11-13-8)12-7-4-2-1-3-5-7/h1-6H,(H,12,14)(H,10,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,4,10,8,14,12,7,11,9/E:(2,3)(4,5)/rA:14nCCCCCCNCOCNNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;d10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.80018
Area:355.542
Solvation:-2.08837
Coulombic:-38.9217
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.186
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.92
LogP (Chemaxon):1.13

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Descriptor Annotations

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