[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine

C11H13BrN4O — CID 65326569

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(Br)c(Cn2cc(CN)nn2)c1
InChIInChI=1S/C11H13BrN4O/c1-17-10-2-3-11(12)8(4-10)6-16-7-9(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3
InChIKeyHDDIDASTLVNILW-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.56
Rot. Bonds4

About [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine

[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 65326569) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
PubChem CID65326569
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(Br)c(Cn2cc(CN)nn2)c1
InChIInChI=1S/C11H13BrN4O/c1-17-10-2-3-11(12)8(4-10)6-16-7-9(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3
InChIKeyHDDIDASTLVNILW-UHFFFAOYSA-N
XLogP1.56
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
3-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460880
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
1-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 65327077
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
CID 65326515
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
4-(bromomethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]triazole
CID 102878737
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine (CID 65326569) is [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine is COc1ccc(Br)c(Cn2cc(CN)nn2)c1.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is HDDIDASTLVNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-17-10-2-3-11(12)8(4-10)6-16-7-9(5-13)14-15-16/h2-4,7H,5-6,13H2,1H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine?
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 297.16 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 65326569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).