1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine

C9H11BrN4O — CID 107064617

IUPAC1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccoc2Br)nn1
InChIInChI=1S/C9H11BrN4O/c1-14-5-6(12-13-14)4-8(11)7-2-3-15-9(7)10/h2-3,5,8H,4,11H2,1H3
InChIKeyXNTKHZLMTYQRQQ-UHFFFAOYSA-N
MW271.12 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064617) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064617
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccoc2Br)nn1
InChIInChI=1S/C9H11BrN4O/c1-14-5-6(12-13-14)4-8(11)7-2-3-15-9(7)10/h2-3,5,8H,4,11H2,1H3
InChIKeyXNTKHZLMTYQRQQ-UHFFFAOYSA-N
XLogP1.41
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063974
1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064355
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
1-(7-bromo-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064475
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromofuran-3-yl)ethanamine
CID 106857889
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107064617) is 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2ccoc2Br)nn1.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is XNTKHZLMTYQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-14-5-6(12-13-14)4-8(11)7-2-3-15-9(7)10/h2-3,5,8H,4,11H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 271.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).