2-tert-butyl-5-pyrrolidin-3-yltetrazole

C9H17N5 — CID 67389506

IUPAC2-tert-butyl-5-pyrrolidin-3-yltetrazole
SMILESCC(C)(C)n1nnc(C2CCNC2)n1
InChIInChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3
InChIKeyWTEVXTGFHBUCNC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds1

About 2-tert-butyl-5-pyrrolidin-3-yltetrazole

2-tert-butyl-5-pyrrolidin-3-yltetrazole (PubChem CID 67389506) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-tert-butyl-5-pyrrolidin-3-yltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-pyrrolidin-3-yltetrazole
PubChem CID67389506
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-tert-butyl-5-pyrrolidin-3-yltetrazole
SMILESCC(C)(C)n1nnc(C2CCNC2)n1
InChIInChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3
InChIKeyWTEVXTGFHBUCNC-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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-pyrrolidin-3-yltetrazole?
The IUPAC name of 2-tert-butyl-5-pyrrolidin-3-yltetrazole (CID 67389506) is 2-tert-butyl-5-pyrrolidin-3-yltetrazole.
What is the SMILES notation for 2-tert-butyl-5-pyrrolidin-3-yltetrazole?
The canonical SMILES for 2-tert-butyl-5-pyrrolidin-3-yltetrazole is CC(C)(C)n1nnc(C2CCNC2)n1.
What is the InChIKey of 2-tert-butyl-5-pyrrolidin-3-yltetrazole?
The InChIKey is WTEVXTGFHBUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(2,3)14-12-8(11-13-14)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-pyrrolidin-3-yltetrazole?
2-tert-butyl-5-pyrrolidin-3-yltetrazole has a molecular weight of 195.27 g/mol, XLogP of 0.50, 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-pyrrolidin-3-yltetrazole is sourced from PubChem (CID 67389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).