1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole

C10H19N5 — CID 1432295

IUPAC1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESCC(C)(C)n1nnnc1CN1CCCC1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-9(11-12-13-15)8-14-6-4-5-7-14/h4-8H2,1-3H3
InChIKeyGHYMFBPEVKIUOX-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.02
Rot. Bonds2

About 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole

1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole (PubChem CID 1432295) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
PubChem CID1432295
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESCC(C)(C)n1nnnc1CN1CCCC1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-9(11-12-13-15)8-14-6-4-5-7-14/h4-8H2,1-3H3
InChIKeyGHYMFBPEVKIUOX-UHFFFAOYSA-N
XLogP1.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The IUPAC name of 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole (CID 1432295) is 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The canonical SMILES for 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole is CC(C)(C)n1nnnc1CN1CCCC1.
What is the InChIKey of 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The InChIKey is GHYMFBPEVKIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)15-9(11-12-13-15)8-14-6-4-5-7-14/h4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole has a molecular weight of 209.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole is sourced from PubChem (CID 1432295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).