Chemical ID: 5073619

c1ccc(cc1)C(=O)Nn2ccnn2
Chemical ID:
5073619
Name [?]:
N-triazol-1-ylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nn2ccnn2
InChi [?]:
InChI=1/C9H8N4O/c14-9(8-4-2-1-3-5-8)11-13-7-6-10-12-13/h1-7H,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,11,4,7,13,9,14,10,8/E:(2,3)(4,5)/rA:14nCCCCCCCONNCCNN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;s10d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.48022
Area:356.011
Solvation:-2.42007
Coulombic:-20.2573
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:1.13
LogP (Chemaxon):0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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