Chemical ID: 4527979

c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
Chemical ID:
4527979
Name [?]:
1-(1H-benzoimidazol-2-ylmethyl)tetrazol-5-amine
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
InChi [?]:
InChI=1/C9H9N7/c10-9-13-14-15-16(9)5-8-11-6-3-1-2-4-7(6)12-8/h1-4H,5H2,(H,11,12)(H2,10,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,4,8,12,16,7,9,13,14,15,11/E:(1,2)(3,4)(6,7)(11,12)/rA:16nCCCCCCNCNCNCNNNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;s11d14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N7
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.23711
Area:382.39
Solvation:-2.32264
Coulombic:-38.9902
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:215.215
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:-0.29
LogP (Chemaxon):0.91

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Descriptor Annotations

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