2-tert-butyl-5-propan-2-yltetrazole

C8H16N4 — CID 59533537

IUPAC2-tert-butyl-5-propan-2-yltetrazole
SMILESCC(C)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-6(2)7-9-11-12(10-7)8(3,4)5/h6H,1-5H3
InChIKeyBMNHDJKYIHSDNX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.55
Rot. Bonds1

About 2-tert-butyl-5-propan-2-yltetrazole

2-tert-butyl-5-propan-2-yltetrazole (PubChem CID 59533537) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yltetrazole
PubChem CID59533537
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-tert-butyl-5-propan-2-yltetrazole
SMILESCC(C)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-6(2)7-9-11-12(10-7)8(3,4)5/h6H,1-5H3
InChIKeyBMNHDJKYIHSDNX-UHFFFAOYSA-N
XLogP1.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-propan-2-yltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yltetrazole?
The IUPAC name of 2-tert-butyl-5-propan-2-yltetrazole (CID 59533537) is 2-tert-butyl-5-propan-2-yltetrazole.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yltetrazole?
The canonical SMILES for 2-tert-butyl-5-propan-2-yltetrazole is CC(C)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yltetrazole?
The InChIKey is BMNHDJKYIHSDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)7-9-11-12(10-7)8(3,4)5/h6H,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-yltetrazole?
2-tert-butyl-5-propan-2-yltetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yltetrazole is sourced from PubChem (CID 59533537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).