General Information of the Compound
Compound ID
CP0064571
Compound Name
1H-1,2,3-benzotriazol-1-amine
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Synonyms
1-Abtz
1-Aminobenzotriazole, 98%
1-Benzotriazolamine
1-aminobenzotriazole
1-benzotriazolylamine
1614-12-6
1H-1,2,3-Benzotriazol-1-amine
1H-1,2,3-Benzotriazol-1-ylamine
1H-1,2,3-benzotriazol-1-amine
1H-Benzotriazol-1-amine
1H-benzo[d][1,2,3]triazol-1-amine
9EFF75BJ1O
ABT
AC1L1BBK
ACMC-1BVFA
AK-830/25033013
CHEMBL101168
Lopac-A-3940
MFCD00132902
NSC 114498
NSC656987
PubChem19954
Q-102063
UNII-9EFF75BJ1O
benzotriazol-1-amine
benzotriazol-1-ylamine
benzotriazolylamine
rarechem aq nn 0550
timtec-bb sbb004208
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Structure
Formula
C6H6N4
Molecular Weight
134.142
Canonical SMILES
Nn1nnc2ccccc12
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InChI
InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
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InChIKey
JCXKHYLLVKZPKE-UHFFFAOYSA-N
CAS
1614-12-6
Physicochemical Property
logP
0.1451
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
56.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
10

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1367
SID: 15194550
ChEMBL ID
CHEMBL101168
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06367, Cytochrome P450 4Z1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 12000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1H-1,2,3-benzotriazol-1-amine )
Drug Name 1H-1,2,3-benzotriazol-1-amine
Target(s)
Albendazole monooxygenase (CYP3A4)
 Target Info 
Inhibitor
Debrisoquine 4-hydroxylase (CYP2D6)
 Target Info 
Inhibitor