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

C10H19N5 — CID 153096156

IUPAC2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole
SMILESCN1CCC(c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-12-9(11-13-15)8-5-6-14(4)7-8/h8H,5-7H2,1-4H3
InChIKeyVQDOVIMBZYRBLJ-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.85
Rot. Bonds1

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

2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole (PubChem CID 153096156) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole
PubChem CID153096156
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole
SMILESCN1CCC(c2nnn(C(C)(C)C)n2)C1
InChIInChI=1S/C10H19N5/c1-10(2,3)15-12-9(11-13-15)8-5-6-14(4)7-8/h8H,5-7H2,1-4H3
InChIKeyVQDOVIMBZYRBLJ-UHFFFAOYSA-N
XLogP0.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.85
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-methylpyrrolidin-3-yl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole (CID 153096156) is 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole is CN1CCC(c2nnn(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole?
The InChIKey is VQDOVIMBZYRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)15-12-9(11-13-15)8-5-6-14(4)7-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole?
2-tert-butyl-5-(1-methylpyrrolidin-3-yl)tetrazole has a molecular weight of 209.30 g/mol, XLogP of 0.85, 1 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-methylpyrrolidin-3-yl)tetrazole is sourced from PubChem (CID 153096156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).