1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C8H7BrN4O2 — CID 107063536

IUPAC1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H7BrN4O2/c1-13-11-8(10-12-13)4-5(14)6-2-3-7(9)15-6/h2-3H,4H2,1H3
InChIKeyRIASRNXWDDLDLR-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063536) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063536
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H7BrN4O2/c1-13-11-8(10-12-13)4-5(14)6-2-3-7(9)15-6/h2-3H,4H2,1H3
InChIKeyRIASRNXWDDLDLR-UHFFFAOYSA-N
XLogP0.99
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784385
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107944902
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063536) is 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is RIASRNXWDDLDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-13-11-8(10-12-13)4-5(14)6-2-3-7(9)15-6/h2-3H,4H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 271.07 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).