5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole

C10H19N5 — CID 58095701

IUPAC5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole
SMILESCC(C)(C)c1nnn(CC2CCCN2)n1
InChIInChI=1S/C10H19N5/c1-10(2,3)9-12-14-15(13-9)7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3
InChIKeyHPQLKBNJLGKTCR-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.72
Rot. Bonds2

About 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole

5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole (PubChem CID 58095701) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole
PubChem CID58095701
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole
SMILESCC(C)(C)c1nnn(CC2CCCN2)n1
InChIInChI=1S/C10H19N5/c1-10(2,3)9-12-14-15(13-9)7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3
InChIKeyHPQLKBNJLGKTCR-UHFFFAOYSA-N
XLogP0.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole?
The IUPAC name of 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole (CID 58095701) is 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole?
The canonical SMILES for 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole is CC(C)(C)c1nnn(CC2CCCN2)n1.
What is the InChIKey of 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole?
The InChIKey is HPQLKBNJLGKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)9-12-14-15(13-9)7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole?
5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole has a molecular weight of 209.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole is sourced from PubChem (CID 58095701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).