Chemical ID: 6499322

c1ccc(cc1)C#CCNc2[nH]nnn2
Chemical ID:
6499322
Name [?]:
N-(3-phenylprop-2-ynyl)-1H-tetrazol-5-amine
SMILES [?]:
c1ccc(cc1)C#CCNc2[nH]nnn2
InChi [?]:
InChI=1/C10H9N5/c1-2-5-9(6-3-1)7-4-8-11-10-12-14-15-13-10/h1-3,5-6H,8H2,(H2,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,4,11,10,12,15,13,14/E:(2,3)(5,6)(12,13)(14,15)/rA:15nCCCCCCCCCNCNNNN/rB:s1;d2;s3;d4;d1s5;s4;t7;s8;s9;s10;s11;s12;d13;d11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.39739
Area:406.422
Solvation:-1.76315
Coulombic:-24.1714
Bond Count [?]
All:16
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.212
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.72
LogP (Chemaxon):1.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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