2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline

C12H16N4O — CID 82475294

IUPAC2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
SMILESCc1nc(CCOc2ccccc2N)n(C)n1
InChIInChI=1S/C12H16N4O/c1-9-14-12(16(2)15-9)7-8-17-11-6-4-3-5-10(11)13/h3-6H,7-8,13H2,1-2H3
InChIKeyTYCXPSJIEVZFLM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline

2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline (PubChem CID 82475294) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
PubChem CID82475294
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
SMILESCc1nc(CCOc2ccccc2N)n(C)n1
InChIInChI=1S/C12H16N4O/c1-9-14-12(16(2)15-9)7-8-17-11-6-4-3-5-10(11)13/h3-6H,7-8,13H2,1-2H3
InChIKeyTYCXPSJIEVZFLM-UHFFFAOYSA-N
XLogP1.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.33
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-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63746223
3-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475291
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63747212
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 61030494
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
2-[(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methoxy]aniline
CID 82479548
2-[2-(1-methylimidazol-2-yl)sulfanylethoxy]aniline
CID 43174485

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline (CID 82475294) is 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline is Cc1nc(CCOc2ccccc2N)n(C)n1.
What is the InChIKey of 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline?
The InChIKey is TYCXPSJIEVZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-14-12(16(2)15-9)7-8-17-11-6-4-3-5-10(11)13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline?
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline has a molecular weight of 232.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline is sourced from PubChem (CID 82475294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).