3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine

C13H11N5O — CID 649801

IUPAC3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine
SMILESCOc1ccc(-n2nnnc2-c2cccnc2)cc1
InChIInChI=1S/C13H11N5O/c1-19-12-6-4-11(5-7-12)18-13(15-16-17-18)10-3-2-8-14-9-10/h2-9H,1H3
InChIKeyUXFYUOMGEYZAHJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.73
Rot. Bonds3

About 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine

3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine (PubChem CID 649801) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine
PubChem CID649801
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine
SMILESCOc1ccc(-n2nnnc2-c2cccnc2)cc1
InChIInChI=1S/C13H11N5O/c1-19-12-6-4-11(5-7-12)18-13(15-16-17-18)10-3-2-8-14-9-10/h2-9H,1H3
InChIKeyUXFYUOMGEYZAHJ-UHFFFAOYSA-N
XLogP1.73
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine (CID 649801) is 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine is COc1ccc(-n2nnnc2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine?
The InChIKey is UXFYUOMGEYZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-19-12-6-4-11(5-7-12)18-13(15-16-17-18)10-3-2-8-14-9-10/h2-9H,1H3.
What are the key properties of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine?
3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine has a molecular weight of 253.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 649801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).