2-methoxy-5-(triazol-2-yl)aniline

C9H10N4O — CID 84662609

IUPAC2-methoxy-5-(triazol-2-yl)aniline
SMILESCOc1ccc(-n2nccn2)cc1N
InChIInChI=1S/C9H10N4O/c1-14-9-3-2-7(6-8(9)10)13-11-4-5-12-13/h2-6H,10H2,1H3
InChIKeyOELQWJAQDBASPN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.86
Rot. Bonds2

About 2-methoxy-5-(triazol-2-yl)aniline

2-methoxy-5-(triazol-2-yl)aniline (PubChem CID 84662609) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-methoxy-5-(triazol-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(triazol-2-yl)aniline
PubChem CID84662609
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-methoxy-5-(triazol-2-yl)aniline
SMILESCOc1ccc(-n2nccn2)cc1N
InChIInChI=1S/C9H10N4O/c1-14-9-3-2-7(6-8(9)10)13-11-4-5-12-13/h2-6H,10H2,1H3
InChIKeyOELQWJAQDBASPN-UHFFFAOYSA-N
XLogP0.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.86
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

2-(3,4-dimethoxyphenyl)triazole
CID 123229175
1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499506
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
1-(3-amino-4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82513717
1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
CID 61351313
6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine
CID 178140286
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-methoxy-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 171062930
5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methoxyaniline
CID 82513470

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(triazol-2-yl)aniline?
The IUPAC name of 2-methoxy-5-(triazol-2-yl)aniline (CID 84662609) is 2-methoxy-5-(triazol-2-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(triazol-2-yl)aniline?
The canonical SMILES for 2-methoxy-5-(triazol-2-yl)aniline is COc1ccc(-n2nccn2)cc1N.
What is the InChIKey of 2-methoxy-5-(triazol-2-yl)aniline?
The InChIKey is OELQWJAQDBASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-9-3-2-7(6-8(9)10)13-11-4-5-12-13/h2-6H,10H2,1H3.
What are the key properties of 2-methoxy-5-(triazol-2-yl)aniline?
2-methoxy-5-(triazol-2-yl)aniline has a molecular weight of 190.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(triazol-2-yl)aniline is sourced from PubChem (CID 84662609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).