N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine

C12H10ClN5 — CID 749610

IUPACN-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine
SMILESClc1ccc(NCn2nnc3ccccc32)nc1
InChIInChI=1S/C12H10ClN5/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)
InChIKeyXWKPVSSAIQAZOQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.55
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine

N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine (PubChem CID 749610) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine
PubChem CID749610
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC NameN-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine
SMILESClc1ccc(NCn2nnc3ccccc32)nc1
InChIInChI=1S/C12H10ClN5/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)
InChIKeyXWKPVSSAIQAZOQ-UHFFFAOYSA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-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 N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine (CID 749610) is N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine is Clc1ccc(NCn2nnc3ccccc32)nc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine?
The InChIKey is XWKPVSSAIQAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/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).
What are the key properties of N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine?
N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine has a molecular weight of 259.70 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).