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

C11H14N4O — CID 63746223

IUPAC2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCc1nc(COc2ccccc2N)n(C)n1
InChIInChI=1S/C11H14N4O/c1-8-13-11(15(2)14-8)7-16-10-6-4-3-5-9(10)12/h3-6H,7,12H2,1-2H3
InChIKeyCNLCZOSBCOEMRC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds3

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

2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline (PubChem CID 63746223) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
PubChem CID63746223
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCc1nc(COc2ccccc2N)n(C)n1
InChIInChI=1S/C11H14N4O/c1-8-13-11(15(2)14-8)7-16-10-6-4-3-5-9(10)12/h3-6H,7,12H2,1-2H3
InChIKeyCNLCZOSBCOEMRC-UHFFFAOYSA-N
XLogP1.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
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-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63747212
2-[(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methoxy]aniline
CID 82479548
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
2-[(1-ethyl-5-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745345
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline
CID 82487970
ethyl 1-methyl-5-(phenoxymethyl)-1,2,4-triazole-3-carboxylate
CID 55218772
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 61030494

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The IUPAC name of 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline (CID 63746223) is 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline.
What is the SMILES notation for 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The canonical SMILES for 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline is Cc1nc(COc2ccccc2N)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The InChIKey is CNLCZOSBCOEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-13-11(15(2)14-8)7-16-10-6-4-3-5-9(10)12/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline?
2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline has a molecular weight of 218.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline is sourced from PubChem (CID 63746223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).