2-(benzotriazol-1-yl)pyridin-3-amine

C11H9N5 — CID 42281444

IUPAC2-(benzotriazol-1-yl)pyridin-3-amine
SMILESNc1cccnc1-n1nnc2ccccc21
InChIInChI=1S/C11H9N5/c12-8-4-3-7-13-11(8)16-10-6-2-1-5-9(10)14-15-16/h1-7H,12H2
InChIKeySPAXFGJLYROTMF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 2-(benzotriazol-1-yl)pyridin-3-amine

2-(benzotriazol-1-yl)pyridin-3-amine (PubChem CID 42281444) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)pyridin-3-amine
PubChem CID42281444
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name2-(benzotriazol-1-yl)pyridin-3-amine
SMILESNc1cccnc1-n1nnc2ccccc21
InChIInChI=1S/C11H9N5/c12-8-4-3-7-13-11(8)16-10-6-2-1-5-9(10)14-15-16/h1-7H,12H2
InChIKeySPAXFGJLYROTMF-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-1-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)pyridin-3-amine?
The IUPAC name of 2-(benzotriazol-1-yl)pyridin-3-amine (CID 42281444) is 2-(benzotriazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(benzotriazol-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(benzotriazol-1-yl)pyridin-3-amine is Nc1cccnc1-n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)pyridin-3-amine?
The InChIKey is SPAXFGJLYROTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-8-4-3-7-13-11(8)16-10-6-2-1-5-9(10)14-15-16/h1-7H,12H2.
What are the key properties of 2-(benzotriazol-1-yl)pyridin-3-amine?
2-(benzotriazol-1-yl)pyridin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 42281444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).