4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine

C16H16N10O — CID 4916819

IUPAC4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine
SMILESc1cc(-c2nnn(CCOCCn3nnc(-c4ccncc4)n3)n2)ccn1
InChIInChI=1S/C16H16N10O/c1-5-17-6-2-13(1)15-19-23-25(21-15)9-11-27-12-10-26-22-16(20-24-26)14-3-7-18-8-4-14/h1-8H,9-12H2
InChIKeyLBYXIEQPGDAMSF-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.50
Rot. Bonds8

About 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine

4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine (PubChem CID 4916819) has the molecular formula C16H16N10O and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine
PubChem CID4916819
Molecular FormulaC16H16N10O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine
SMILESc1cc(-c2nnn(CCOCCn3nnc(-c4ccncc4)n3)n2)ccn1
InChIInChI=1S/C16H16N10O/c1-5-17-6-2-13(1)15-19-23-25(21-15)9-11-27-12-10-26-22-16(20-24-26)14-3-7-18-8-4-14/h1-8H,9-12H2
InChIKeyLBYXIEQPGDAMSF-UHFFFAOYSA-N
XLogP0.50
TPSA122.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine?
The IUPAC name of 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine (CID 4916819) is 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine is c1cc(-c2nnn(CCOCCn3nnc(-c4ccncc4)n3)n2)ccn1.
What is the InChIKey of 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine?
The InChIKey is LBYXIEQPGDAMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10O/c1-5-17-6-2-13(1)15-19-23-25(21-15)9-11-27-12-10-26-22-16(20-24-26)14-3-7-18-8-4-14/h1-8H,9-12H2.
What are the key properties of 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine?
4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine has a molecular weight of 364.37 g/mol, XLogP of 0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(5-pyridin-4-yltetrazol-2-yl)ethoxy]ethyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 4916819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).