1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole

C11H13BrN4 — CID 163729444

IUPAC1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole
SMILESCc1cc(Br)cc(C(C)C)c1-n1cnnn1
InChIInChI=1S/C11H13BrN4/c1-7(2)10-5-9(12)4-8(3)11(10)16-6-13-14-15-16/h4-7H,1-3H3
InChIKeyKYIGTFWLOJCMAH-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.86
Rot. Bonds2

About 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole

1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole (PubChem CID 163729444) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole
PubChem CID163729444
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole
SMILESCc1cc(Br)cc(C(C)C)c1-n1cnnn1
InChIInChI=1S/C11H13BrN4/c1-7(2)10-5-9(12)4-8(3)11(10)16-6-13-14-15-16/h4-7H,1-3H3
InChIKeyKYIGTFWLOJCMAH-UHFFFAOYSA-N
XLogP2.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-2-methyl-6-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 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole?
The IUPAC name of 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole (CID 163729444) is 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole is Cc1cc(Br)cc(C(C)C)c1-n1cnnn1.
What is the InChIKey of 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole?
The InChIKey is KYIGTFWLOJCMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-7(2)10-5-9(12)4-8(3)11(10)16-6-13-14-15-16/h4-7H,1-3H3.
What are the key properties of 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole?
1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole has a molecular weight of 281.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 163729444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).