Chemical ID: 4668888

c1ccc2c(c1)nnn2C3=NCCN3
Chemical ID:
4668888
Name [?]:
1-(4,5-dihydro-1H-imidazol-2-yl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2C3=NCCN3
InChi [?]:
InChI=1/C9H9N5/c1-2-4-8-7(3-1)12-13-14(8)9-10-5-6-11-9/h1-4H,5-6H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,5,4,10,11,14,7,8,9/E:(5,6)(10,11)/rA:14nCCCCCCNNNCNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.59131
Area:343.362
Solvation:-1.99275
Coulombic:-23.6002
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:187.201
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.71
LogP (Chemaxon):1.78

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