2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole

C11H21N5 — CID 90378801

IUPAC2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole
SMILESCCN1CCC(c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C11H21N5/c1-5-15-7-6-9(8-15)10-12-14-16(13-10)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWJSFMSHXJIPGET-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.24
Rot. Bonds2

About 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole

2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole (PubChem CID 90378801) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole
PubChem CID90378801
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole
SMILESCCN1CCC(c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C11H21N5/c1-5-15-7-6-9(8-15)10-12-14-16(13-10)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWJSFMSHXJIPGET-UHFFFAOYSA-N
XLogP1.24
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole (CID 90378801) is 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole is CCN1CCC(c2nnn(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole?
The InChIKey is WJSFMSHXJIPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-15-7-6-9(8-15)10-12-14-16(13-10)11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole?
2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole has a molecular weight of 223.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole is sourced from PubChem (CID 90378801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).