5-(4-methoxyphenyl)-1H-1,2,4-triazole

C9H9N3O — CID 13171053

IUPAC5-(4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
InChIKeyJOSYKZQNBMKHRX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.48
Rot. Bonds2

About 5-(4-methoxyphenyl)-1H-1,2,4-triazole

5-(4-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 13171053) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID13171053
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-(4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
InChIKeyJOSYKZQNBMKHRX-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1H-1,2,4-triazole (CID 13171053) is 5-(4-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-1,2,4-triazole is COc1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is JOSYKZQNBMKHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12).
What are the key properties of 5-(4-methoxyphenyl)-1H-1,2,4-triazole?
5-(4-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 175.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 13171053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).