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Chemical ID: 4669846
Chemical ID:
4669846
Name [?]:
1-pyrazin-2-ylbenzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2c3cnccn3
InChi [?]:
InChI=1/C10H7N5/c1-2-4-9-8(3-1)13-14-15(9)10-7-11-5-6-12-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,11,5,4,10,12,15,7,8,9/rA:15nCCCCCCNNNCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86099 |
Area: | 354.02 |
Solvation: | -1.98953 |
Coulombic: | -15.6948 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 197.196 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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