Chemical ID: 4685221

Cn1c(nc(n1)n2c3ccccc3nn2)N
Chemical ID:
4685221
Name [?]:
5-benzotriazol-1-yl-2-methyl-1,2,4-triazol-3-amine
SMILES [?]:
Cn1c(nc(n1)n2c3ccccc3nn2)N
InChi [?]:
InChI=1/C9H9N7/c1-15-8(10)11-9(13-15)16-7-5-3-2-4-6(7)12-14-16/h2-5H,1H3,(H2,10,11,13)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,13,8,3,5,16,4,14,6,15,2,7/rA:16nCNCNCNNCCCCCCNNN/rB:s1;s2;d3;s4;s2d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N7
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.46982
Area:378.07
Solvation:-1.98192
Coulombic:-35.7208
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:215.215
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.39
LogP (Chemaxon):1.43

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Descriptor Annotations

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