5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline

C10H11BrN4O — CID 106463208

IUPAC5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2c(Br)nnn2C)cc1N
InChIInChI=1S/C10H11BrN4O/c1-15-9(10(11)13-14-15)6-3-4-8(16-2)7(12)5-6/h3-5H,12H2,1-2H3
InChIKeyKCNVXOFZXMLRRB-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.84
Rot. Bonds2

About 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline

5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline (PubChem CID 106463208) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline
PubChem CID106463208
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2c(Br)nnn2C)cc1N
InChIInChI=1S/C10H11BrN4O/c1-15-9(10(11)13-14-15)6-3-4-8(16-2)7(12)5-6/h3-5H,12H2,1-2H3
InChIKeyKCNVXOFZXMLRRB-UHFFFAOYSA-N
XLogP1.84
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197
5-(3-bromophenyl)-2-methoxyaniline
CID 115503810
2-(5-bromo-3-methyltriazol-4-yl)-5-fluoroaniline
CID 107626998
2-(5-bromo-3-methyltriazol-4-yl)-4-fluoroaniline
CID 106463176
3-(5-bromo-3-methyltriazol-4-yl)benzaldehyde
CID 106463235
5-(3-amino-4-methoxyphenyl)-1-(2-methylpropyl)triazole-4-carboxylic acid
CID 82208546
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
CID 106463214
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
5-(3-amino-4-methoxyphenyl)-1-prop-2-enyltriazole-4-carboxylic acid
CID 82204462
6-(5-bromo-3-methyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 106463225

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline?
The IUPAC name of 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline (CID 106463208) is 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline?
The canonical SMILES for 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline is COc1ccc(-c2c(Br)nnn2C)cc1N.
What is the InChIKey of 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline?
The InChIKey is KCNVXOFZXMLRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-15-9(10(11)13-14-15)6-3-4-8(16-2)7(12)5-6/h3-5H,12H2,1-2H3.
What are the key properties of 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline?
5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline has a molecular weight of 283.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-methyltriazol-4-yl)-2-methoxyaniline is sourced from PubChem (CID 106463208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).