Chemical ID: 4682579

c1ccc2c(c1)nnn2C3=NCCCC3
Chemical ID:
4682579
Name [?]:
1-(3,4,5,6-tetrahydropyridin-2-yl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2C3=NCCCC3
InChi [?]:
InChI=1/C11H12N4/c1-2-6-10-9(5-1)13-14-15(10)11-7-3-4-8-12-11/h1-2,5-6H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,3,15,12,5,4,10,11,7,8,9/rA:15nCCCCCCNNNCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.39229
Area:361.635
Solvation:-1.64859
Coulombic:-10.974
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:200.24
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.36
LogP (Chemaxon):2.19

Name Annotations

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Descriptor Annotations

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