2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol

C9H9BrN4O — CID 84759463

IUPAC2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN4O/c10-8-3-1-7(2-4-8)9-11-12-13-14(9)5-6-15/h1-4,15H,5-6H2
InChIKeyHPTOYENBGCSCDS-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.09
Rot. Bonds3

About 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol

2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol (PubChem CID 84759463) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol
PubChem CID84759463
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN4O/c10-8-3-1-7(2-4-8)9-11-12-13-14(9)5-6-15/h1-4,15H,5-6H2
InChIKeyHPTOYENBGCSCDS-UHFFFAOYSA-N
XLogP1.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol 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-[5-(4-bromophenyl)tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol (CID 84759463) is 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol is OCCn1nnnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol?
The InChIKey is HPTOYENBGCSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-8-3-1-7(2-4-8)9-11-12-13-14(9)5-6-15/h1-4,15H,5-6H2.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol?
2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol has a molecular weight of 269.10 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-1-yl]ethanol is sourced from PubChem (CID 84759463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).