3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C18H18N8 — CID 17418452

IUPAC3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(-n2nnnc2N2CCCC(c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C18H18N8/c1-2-8-15(9-3-1)26-18(21-22-23-26)24-11-6-7-14(13-24)17-20-19-16-10-4-5-12-25(16)17/h1-5,8-10,12,14H,6-7,11,13H2
InChIKeyZHMLTYAGJVXPGI-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.09
Rot. Bonds3

About 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 17418452) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID17418452
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(-n2nnnc2N2CCCC(c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C18H18N8/c1-2-8-15(9-3-1)26-18(21-22-23-26)24-11-6-7-14(13-24)17-20-19-16-10-4-5-12-25(16)17/h1-5,8-10,12,14H,6-7,11,13H2
InChIKeyZHMLTYAGJVXPGI-UHFFFAOYSA-N
XLogP2.09
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 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-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 17418452) is 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is c1ccc(-n2nnnc2N2CCCC(c3nnc4ccccn34)C2)cc1.
What is the InChIKey of 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZHMLTYAGJVXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-2-8-15(9-3-1)26-18(21-22-23-26)24-11-6-7-14(13-24)17-20-19-16-10-4-5-12-25(16)17/h1-5,8-10,12,14H,6-7,11,13H2.
What are the key properties of 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 346.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 17418452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).