1-methyl-4-[(3-methylphenoxy)methyl]triazole

C11H13N3O — CID 103866173

IUPAC1-methyl-4-[(3-methylphenoxy)methyl]triazole
SMILESCc1cccc(OCc2cn(C)nn2)c1
InChIInChI=1S/C11H13N3O/c1-9-4-3-5-11(6-9)15-8-10-7-14(2)13-12-10/h3-7H,8H2,1-2H3
InChIKeyRTYLVLVIDYEOTR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-4-[(3-methylphenoxy)methyl]triazole

1-methyl-4-[(3-methylphenoxy)methyl]triazole (PubChem CID 103866173) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-methyl-4-[(3-methylphenoxy)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(3-methylphenoxy)methyl]triazole
PubChem CID103866173
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-methyl-4-[(3-methylphenoxy)methyl]triazole
SMILESCc1cccc(OCc2cn(C)nn2)c1
InChIInChI=1S/C11H13N3O/c1-9-4-3-5-11(6-9)15-8-10-7-14(2)13-12-10/h3-7H,8H2,1-2H3
InChIKeyRTYLVLVIDYEOTR-UHFFFAOYSA-N
XLogP1.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041397
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CID 107040834
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
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[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
4-(2-bromoethyl)-1-[3-(3-methylphenoxy)propyl]triazole
CID 62394785
4-(bromomethyl)-1-[2-(3-methylphenoxy)ethyl]triazole
CID 62401618
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
1-(4-ethylpiperazin-1-yl)-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methylphenoxy)methyl]triazole?
The IUPAC name of 1-methyl-4-[(3-methylphenoxy)methyl]triazole (CID 103866173) is 1-methyl-4-[(3-methylphenoxy)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(3-methylphenoxy)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(3-methylphenoxy)methyl]triazole is Cc1cccc(OCc2cn(C)nn2)c1.
What is the InChIKey of 1-methyl-4-[(3-methylphenoxy)methyl]triazole?
The InChIKey is RTYLVLVIDYEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-4-3-5-11(6-9)15-8-10-7-14(2)13-12-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methylphenoxy)methyl]triazole?
1-methyl-4-[(3-methylphenoxy)methyl]triazole has a molecular weight of 203.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methylphenoxy)methyl]triazole is sourced from PubChem (CID 103866173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).