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

C8H10BrN5O — CID 107064809

IUPAC1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ccc(Br)o2)n1
InChIInChI=1S/C8H10BrN5O/c1-14-12-8(11-13-14)4-5(10)6-2-3-7(9)15-6/h2-3,5H,4,10H2,1H3
InChIKeyLONIOWFXWZONEG-UHFFFAOYSA-N
MW272.11 g/mol
LogP0.81
Rot. Bonds3

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

1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107064809) has the molecular formula C8H10BrN5O and a molecular weight of 272.11 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107064809
Molecular FormulaC8H10BrN5O
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ccc(Br)o2)n1
InChIInChI=1S/C8H10BrN5O/c1-14-12-8(11-13-14)4-5(10)6-2-3-7(9)15-6/h2-3,5H,4,10H2,1H3
InChIKeyLONIOWFXWZONEG-UHFFFAOYSA-N
XLogP0.81
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063536
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
CID 107049175
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107064809) is 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)c2ccc(Br)o2)n1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is LONIOWFXWZONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5O/c1-14-12-8(11-13-14)4-5(10)6-2-3-7(9)15-6/h2-3,5H,4,10H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 272.11 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 107064809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).