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

C10H10BrN5O — CID 9421929

IUPAC2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyXFGWIAUKGVAYQL-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.85
Rot. Bonds3

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

2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide (PubChem CID 9421929) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
PubChem CID9421929
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyXFGWIAUKGVAYQL-UHFFFAOYSA-N
XLogP0.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide 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]-N-methylacetamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide (CID 9421929) is 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
The InChIKey is XFGWIAUKGVAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide has a molecular weight of 296.13 g/mol, XLogP of 0.85, 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]-N-methylacetamide is sourced from PubChem (CID 9421929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).