4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine

C15H15N5O — CID 655055

IUPAC4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine
SMILESc1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-5-14(6-3-1)21-12-4-11-20-18-15(17-19-20)13-7-9-16-10-8-13/h1-3,5-10H,4,11-12H2
InChIKeyZSNCAUMCEJEZCE-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.20
Rot. Bonds6

About 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine

4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine (PubChem CID 655055) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine
PubChem CID655055
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine
SMILESc1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-5-14(6-3-1)21-12-4-11-20-18-15(17-19-20)13-7-9-16-10-8-13/h1-3,5-10H,4,11-12H2
InChIKeyZSNCAUMCEJEZCE-UHFFFAOYSA-N
XLogP2.20
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(3-phenoxypropyl)tetrazol-5-yl]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 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine?
The IUPAC name of 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine (CID 655055) is 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine is c1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine?
The InChIKey is ZSNCAUMCEJEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-5-14(6-3-1)21-12-4-11-20-18-15(17-19-20)13-7-9-16-10-8-13/h1-3,5-10H,4,11-12H2.
What are the key properties of 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine?
4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine has a molecular weight of 281.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 655055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).