Chemical ID: 4664425

c1ccc2c(c1)nnn2CNc3ccc(cn3)Br
Chemical ID:
4664425
Name [?]:
N-(benzotriazol-1-ylmethyl)-5-bromo-pyridin-2-amine
SMILES [?]:
c1ccc2c(c1)nnn2CNc3ccc(cn3)Br
InChi [?]:
InChI=1/C12H10BrN5/c13-9-5-6-12(14-7-9)15-8-18-11-4-2-1-3-10(11)16-17-18/h1-7H,8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,13,16,10,15,5,4,12,18,17,11,7,8,9/rA:18nCCCCCCNNNCNCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10BrN5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.41855
Area:440.993
Solvation:-2.60629
Coulombic:-21.7439
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.146
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.81
LogP (Chemaxon):3.47

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