2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole

C10H20N4 — CID 69030785

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCC(C)(C)Cc1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-9(2,3)7-8-11-13-14(12-8)10(4,5)6/h7H2,1-6H3
InChIKeyPHGVPSKBJXEHRI-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.02
Rot. Bonds1

About 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole

2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole (PubChem CID 69030785) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole
PubChem CID69030785
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCC(C)(C)Cc1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-9(2,3)7-8-11-13-14(12-8)10(4,5)6/h7H2,1-6H3
InChIKeyPHGVPSKBJXEHRI-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole 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-(2,2-dimethylpropyl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole (CID 69030785) is 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole is CC(C)(C)Cc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole?
The InChIKey is PHGVPSKBJXEHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2,3)7-8-11-13-14(12-8)10(4,5)6/h7H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole?
2-tert-butyl-5-(2,2-dimethylpropyl)tetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.02, 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-(2,2-dimethylpropyl)tetrazole is sourced from PubChem (CID 69030785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).