5-butyl-2-tert-butyltetrazole

C9H18N4 — CID 69032154

IUPAC5-butyl-2-tert-butyltetrazole
SMILESCCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-7-8-10-12-13(11-8)9(2,3)4/h5-7H2,1-4H3
InChIKeyNHTYLJYCTKRUJF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.77
Rot. Bonds3

About 5-butyl-2-tert-butyltetrazole

5-butyl-2-tert-butyltetrazole (PubChem CID 69032154) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-butyl-2-tert-butyltetrazole.

Molecular Properties

Compound Name5-butyl-2-tert-butyltetrazole
PubChem CID69032154
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-butyl-2-tert-butyltetrazole
SMILESCCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-7-8-10-12-13(11-8)9(2,3)4/h5-7H2,1-4H3
InChIKeyNHTYLJYCTKRUJF-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-butyl-2-tert-butyltetrazole 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 5-butyl-2-tert-butyltetrazole?
The IUPAC name of 5-butyl-2-tert-butyltetrazole (CID 69032154) is 5-butyl-2-tert-butyltetrazole.
What is the SMILES notation for 5-butyl-2-tert-butyltetrazole?
The canonical SMILES for 5-butyl-2-tert-butyltetrazole is CCCCc1nnn(C(C)(C)C)n1.
What is the InChIKey of 5-butyl-2-tert-butyltetrazole?
The InChIKey is NHTYLJYCTKRUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-6-7-8-10-12-13(11-8)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 5-butyl-2-tert-butyltetrazole?
5-butyl-2-tert-butyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-tert-butyltetrazole is sourced from PubChem (CID 69032154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).