3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole

C10H10IN3O — CID 78990444

IUPAC3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1COc1ccccc1I
InChIInChI=1S/C10H10IN3O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyFLUDIHWIVXIWQM-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.00
Rot. Bonds3

About 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole

3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole (PubChem CID 78990444) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole
PubChem CID78990444
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1COc1ccccc1I
InChIInChI=1S/C10H10IN3O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyFLUDIHWIVXIWQM-UHFFFAOYSA-N
XLogP2.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63747212
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-6-nitrobenzoic acid
CID 107341287
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
3-[(2-bromo-5-nitrophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 102975282
2-[(2-iodophenoxy)methyl]-1H-imidazole
CID 54027628
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107697021
2,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 82911452
3-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 82706367
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846

Frequently Asked Questions

What is the IUPAC name of 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole (CID 78990444) is 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole is Cn1cnnc1COc1ccccc1I.
What is the InChIKey of 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole?
The InChIKey is FLUDIHWIVXIWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-14-7-12-13-10(14)6-15-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole?
3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole has a molecular weight of 315.11 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-iodophenoxy)methyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 78990444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).