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

C10H12N4O — CID 63747212

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCn1cnnc1COc1ccccc1N
InChIInChI=1S/C10H12N4O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6,11H2,1H3
InChIKeyMWSXWIWEGQZOKI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds3

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

2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline (PubChem CID 63747212) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
PubChem CID63747212
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCn1cnnc1COc1ccccc1N
InChIInChI=1S/C10H12N4O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6,11H2,1H3
InChIKeyMWSXWIWEGQZOKI-UHFFFAOYSA-N
XLogP0.98
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
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

3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 78990444
2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63746223
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62693867
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-6-nitrobenzoic acid
CID 107341287
2,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 82911452
2-[(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methoxy]aniline
CID 82479548
3-[(2-bromo-5-nitrophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 102975282
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
2-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 63063434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline (CID 63747212) is 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline is Cn1cnnc1COc1ccccc1N.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline?
The InChIKey is MWSXWIWEGQZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6,11H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline?
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline has a molecular weight of 204.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline is sourced from PubChem (CID 63747212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).