5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole

C13H18N4 — CID 59476358

IUPAC5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnc(C(C)C)n2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)17-15-13(10(3)4)14-16-17/h5-10H,1-4H3
InChIKeyXWJSWPOIBOLVIH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds3

About 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole

5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole (PubChem CID 59476358) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole
PubChem CID59476358
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnc(C(C)C)n2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)17-15-13(10(3)4)14-16-17/h5-10H,1-4H3
InChIKeyXWJSWPOIBOLVIH-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-2-(4-propan-2-ylphenyl)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 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole (CID 59476358) is 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole is CC(C)c1ccc(-n2nnc(C(C)C)n2)cc1.
What is the InChIKey of 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole?
The InChIKey is XWJSWPOIBOLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)17-15-13(10(3)4)14-16-17/h5-10H,1-4H3.
What are the key properties of 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole?
5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole has a molecular weight of 230.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 59476358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).