2-(4-pyrrolidin-1-ylphenyl)tetrazole

C11H13N5 — CID 168515009

IUPAC2-(4-pyrrolidin-1-ylphenyl)tetrazole
SMILESc1nnn(-c2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C11H13N5/c1-2-8-15(7-1)10-3-5-11(6-4-10)16-13-9-12-14-16/h3-6,9H,1-2,7-8H2
InChIKeyJYWSOLUWXUCJFJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.26
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylphenyl)tetrazole

2-(4-pyrrolidin-1-ylphenyl)tetrazole (PubChem CID 168515009) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)tetrazole.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)tetrazole
PubChem CID168515009
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)tetrazole
SMILESc1nnn(-c2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C11H13N5/c1-2-8-15(7-1)10-3-5-11(6-4-10)16-13-9-12-14-16/h3-6,9H,1-2,7-8H2
InChIKeyJYWSOLUWXUCJFJ-UHFFFAOYSA-N
XLogP1.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)tetrazole?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)tetrazole (CID 168515009) is 2-(4-pyrrolidin-1-ylphenyl)tetrazole.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)tetrazole?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)tetrazole is c1nnn(-c2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)tetrazole?
The InChIKey is JYWSOLUWXUCJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-8-15(7-1)10-3-5-11(6-4-10)16-13-9-12-14-16/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)tetrazole?
2-(4-pyrrolidin-1-ylphenyl)tetrazole has a molecular weight of 215.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)tetrazole is sourced from PubChem (CID 168515009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).