2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole

C9H17N5 — CID 59412321

IUPAC2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole
SMILESCC(C)(C)n1nnc([C@H]2CCCN2)n1
InChIInChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXQAKPQPBZHEEIS-SSDOTTSWSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds1

About 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole

2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole (PubChem CID 59412321) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole
PubChem CID59412321
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole
SMILESCC(C)(C)n1nnc([C@H]2CCCN2)n1
InChIInChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXQAKPQPBZHEEIS-SSDOTTSWSA-N
XLogP0.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole?
The IUPAC name of 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole (CID 59412321) is 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole.
What is the SMILES notation for 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole?
The canonical SMILES for 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole is CC(C)(C)n1nnc([C@H]2CCCN2)n1.
What is the InChIKey of 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole?
The InChIKey is XQAKPQPBZHEEIS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole?
2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole has a molecular weight of 195.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(2R)-pyrrolidin-2-yl]tetrazole is sourced from PubChem (CID 59412321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).