3-(2-benzyltetrazol-5-yl)pyridin-2-amine

C13H12N6 — CID 58399285

IUPAC3-(2-benzyltetrazol-5-yl)pyridin-2-amine
SMILESNc1ncccc1-c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C13H12N6/c14-12-11(7-4-8-15-12)13-16-18-19(17-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,15)
InChIKeyLGVGXJGREBZWGK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.37
Rot. Bonds3

About 3-(2-benzyltetrazol-5-yl)pyridin-2-amine

3-(2-benzyltetrazol-5-yl)pyridin-2-amine (PubChem CID 58399285) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(2-benzyltetrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-benzyltetrazol-5-yl)pyridin-2-amine
PubChem CID58399285
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name3-(2-benzyltetrazol-5-yl)pyridin-2-amine
SMILESNc1ncccc1-c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C13H12N6/c14-12-11(7-4-8-15-12)13-16-18-19(17-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,15)
InChIKeyLGVGXJGREBZWGK-UHFFFAOYSA-N
XLogP1.37
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-benzyltetrazol-5-yl)pyridin-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 3-(2-benzyltetrazol-5-yl)pyridin-2-amine?
The IUPAC name of 3-(2-benzyltetrazol-5-yl)pyridin-2-amine (CID 58399285) is 3-(2-benzyltetrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-(2-benzyltetrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3-(2-benzyltetrazol-5-yl)pyridin-2-amine is Nc1ncccc1-c1nnn(Cc2ccccc2)n1.
What is the InChIKey of 3-(2-benzyltetrazol-5-yl)pyridin-2-amine?
The InChIKey is LGVGXJGREBZWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-12-11(7-4-8-15-12)13-16-18-19(17-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,15).
What are the key properties of 3-(2-benzyltetrazol-5-yl)pyridin-2-amine?
3-(2-benzyltetrazol-5-yl)pyridin-2-amine has a molecular weight of 252.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyltetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 58399285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).