4-(4-methoxyphenyl)-5-methyl-2H-triazole

C10H11N3O — CID 86096638

IUPAC4-(4-methoxyphenyl)-5-methyl-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2C)cc1
InChIInChI=1S/C10H11N3O/c1-7-10(12-13-11-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyWSILTEWWOCVRPT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.79
Rot. Bonds2

About 4-(4-methoxyphenyl)-5-methyl-2H-triazole

4-(4-methoxyphenyl)-5-methyl-2H-triazole (PubChem CID 86096638) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-2H-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-2H-triazole
PubChem CID86096638
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(4-methoxyphenyl)-5-methyl-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2C)cc1
InChIInChI=1S/C10H11N3O/c1-7-10(12-13-11-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyWSILTEWWOCVRPT-UHFFFAOYSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-2H-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-2H-triazole (CID 86096638) is 4-(4-methoxyphenyl)-5-methyl-2H-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-2H-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-2H-triazole is COc1ccc(-c2n[nH]nc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-2H-triazole?
The InChIKey is WSILTEWWOCVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-10(12-13-11-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-2H-triazole?
4-(4-methoxyphenyl)-5-methyl-2H-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-2H-triazole is sourced from PubChem (CID 86096638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).