Chemical ID: 4669846

c1ccc2c(c1)nnn2c3cnccn3
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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