2-tert-butyl-5-propyltetrazole

C8H16N4 — CID 69031416

IUPAC2-tert-butyl-5-propyltetrazole
SMILESCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-5-6-7-9-11-12(10-7)8(2,3)4/h5-6H2,1-4H3
InChIKeyBPPJPEHAJMIMKD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.38
Rot. Bonds2

About 2-tert-butyl-5-propyltetrazole

2-tert-butyl-5-propyltetrazole (PubChem CID 69031416) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-tert-butyl-5-propyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-propyltetrazole
PubChem CID69031416
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-tert-butyl-5-propyltetrazole
SMILESCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-5-6-7-9-11-12(10-7)8(2,3)4/h5-6H2,1-4H3
InChIKeyBPPJPEHAJMIMKD-UHFFFAOYSA-N
XLogP1.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propyltetrazole?
The IUPAC name of 2-tert-butyl-5-propyltetrazole (CID 69031416) is 2-tert-butyl-5-propyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-propyltetrazole?
The canonical SMILES for 2-tert-butyl-5-propyltetrazole is CCCc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-propyltetrazole?
The InChIKey is BPPJPEHAJMIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-6-7-9-11-12(10-7)8(2,3)4/h5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-propyltetrazole?
2-tert-butyl-5-propyltetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propyltetrazole is sourced from PubChem (CID 69031416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).