1-(2-bromo-5-methoxyphenyl)triazol-4-amine

C9H9BrN4O — CID 79508207

IUPAC1-(2-bromo-5-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(Br)c(-n2cc(N)nn2)c1
InChIInChI=1S/C9H9BrN4O/c1-15-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3
InChIKeySJKLHQOIZJEDEB-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.62
Rot. Bonds2

About 1-(2-bromo-5-methoxyphenyl)triazol-4-amine

1-(2-bromo-5-methoxyphenyl)triazol-4-amine (PubChem CID 79508207) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)triazol-4-amine
PubChem CID79508207
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name1-(2-bromo-5-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(Br)c(-n2cc(N)nn2)c1
InChIInChI=1S/C9H9BrN4O/c1-15-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3
InChIKeySJKLHQOIZJEDEB-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-bromo-5-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 106227192
1-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]ethanamine
CID 114419370
4-(2-bromoethyl)-1-(2-chloro-5-methoxyphenyl)triazole
CID 62401920
4-[1-(2,4-dimethoxyphenyl)triazol-4-yl]aniline
CID 11702092
1-(2-chloro-5-methoxyphenyl)triazole-4-carbaldehyde
CID 66214619
4-(1-bromopropyl)-1-(5-methoxy-2-methylphenyl)triazole
CID 114252887
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole
CID 159756962
1-(2-chloro-5-methylphenyl)triazol-4-amine
CID 107627716
3-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]-4-methylaniline
CID 82369886
6-bromo-3-(2-bromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79302159
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)triazol-4-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)triazol-4-amine (CID 79508207) is 1-(2-bromo-5-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)triazol-4-amine is COc1ccc(Br)c(-n2cc(N)nn2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)triazol-4-amine?
The InChIKey is SJKLHQOIZJEDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-15-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)triazol-4-amine?
1-(2-bromo-5-methoxyphenyl)triazol-4-amine has a molecular weight of 269.10 g/mol, XLogP of 1.62, 2 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)triazol-4-amine is sourced from PubChem (CID 79508207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).