1-[(4-methoxyphenyl)methyl]triazole

C10H11N3O — CID 10899425

IUPAC1-[(4-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2ccnn2)cc1
InChIInChI=1S/C10H11N3O/c1-14-10-4-2-9(3-5-10)8-13-7-6-11-12-13/h2-7H,8H2,1H3
InChIKeyWPJFJXLIGARIRZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.34
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]triazole

1-[(4-methoxyphenyl)methyl]triazole (PubChem CID 10899425) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]triazole
PubChem CID10899425
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-[(4-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2ccnn2)cc1
InChIInChI=1S/C10H11N3O/c1-14-10-4-2-9(3-5-10)8-13-7-6-11-12-13/h2-7H,8H2,1H3
InChIKeyWPJFJXLIGARIRZ-UHFFFAOYSA-N
XLogP1.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(4-methoxyphenyl)-1h-1,2,3-triazole
CID 25185932
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176208
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
CID 52911101
4-(4-Methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole
CID 24789344
1-(Cyclohexylmethyl)-4-(4-methoxyphenyl)triazole
CID 24793535
1-[(3-Phenoxyphenyl)methyl]triazole
CID 56680342
Trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane
CID 56683670
1-(4-Methoxybenzyl)-4-phenyl-1H-1,2,3-triazole
CID 675273
1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carbaldehyde
CID 23138490
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
(1-((4-methoxyphenyl)methyl)-1H-1,2,3-triazol-4-yl)methanamine
CID 59488900
1-[(4-Methoxyphenyl)methyl]-5-phenyltriazole
CID 14612078

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]triazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]triazole (CID 10899425) is 1-[(4-methoxyphenyl)methyl]triazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]triazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]triazole is COc1ccc(Cn2ccnn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]triazole?
The InChIKey is WPJFJXLIGARIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-4-2-9(3-5-10)8-13-7-6-11-12-13/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]triazole?
1-[(4-methoxyphenyl)methyl]triazole has a molecular weight of 189.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]triazole is sourced from PubChem (CID 10899425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).