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CAT: 0607-B7737-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7737-50Size:50 mg
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Description
Cytochrome P450 inhibitor
CAS Number
1614-12-6
Product Name Alternative
1H-benzo[d][1,2,3]triazol-1-amine
Field of Research
Metabolism CYP3A CYP450
Purity
0.9989
Form
A solid
Solubility
≥12.93 mg/mL in H2O with ultrasonic; ≥51.3 mg/mL in EtOH; ≥6.7 mg/mL in DMSO
Smiles
NN1N=NC2=CC=CC=C12
Molecular Formula
C6H6N4
Molecular Weight
134.14
Shipping Conditions
Room Temperature
Storage Conditions
Store at RT.

Chemical Information

1-Aminobenzotriazole

1-aminobenzotriazole is a member of the class of benzotriazoles that is 1H-benzotriazole substituted by an amino group at position 1. It is a non-specific and irreversible inhibitor of cytochrome P450 enzymes. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a P450 inhibitor. It is a member of hydrazines and a member of benzotriazoles.

CAS Number1614-12-6
PubChem CID1367
IUPAC Namebenzotriazol-1-amine
Molecular FormulaC6H6N4
Molecular Weight134.14
XLogP0.9
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC=C2C(=C1)N=NN2N
InChI
InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
InChIKey
JCXKHYLLVKZPKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Aminobenzotriazole
CAS: 1614-12-6
CID: 1367
Formula: C6H6N4
MW: 134.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.14
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass134.059246208
Monoisotopic Mass134.059246208
Topological Polar Surface Area56.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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