2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine

C23H23N5O — CID 10452674

IUPAC2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
SMILESc1ccc(-c2cc(OCCCCCc3nn[nH]n3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H23N5O/c1-4-10-18(11-5-1)20-16-21(19-12-6-2-7-13-19)24-23(17-20)29-15-9-3-8-14-22-25-27-28-26-22/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26,27,28)
InChIKeyMIZPMMYJEGMAHP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.72
Rot. Bonds9

About 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine

2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine (PubChem CID 10452674) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
PubChem CID10452674
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
SMILESc1ccc(-c2cc(OCCCCCc3nn[nH]n3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H23N5O/c1-4-10-18(11-5-1)20-16-21(19-12-6-2-7-13-19)24-23(17-20)29-15-9-3-8-14-22-25-27-28-26-22/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26,27,28)
InChIKeyMIZPMMYJEGMAHP-UHFFFAOYSA-N
XLogP4.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine?
The IUPAC name of 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine (CID 10452674) is 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine.
What is the SMILES notation for 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine?
The canonical SMILES for 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine is c1ccc(-c2cc(OCCCCCc3nn[nH]n3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine?
The InChIKey is MIZPMMYJEGMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-10-18(11-5-1)20-16-21(19-12-6-2-7-13-19)24-23(17-20)29-15-9-3-8-14-22-25-27-28-26-22/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26,27,28).
What are the key properties of 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine?
2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine has a molecular weight of 385.47 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine is sourced from PubChem (CID 10452674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).