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

C9H9N3O — CID 53415459

IUPAC1-(2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-n1cncn1
InChIInChI=1S/C9H9N3O/c1-13-9-5-3-2-4-8(9)12-7-10-6-11-12/h2-7H,1H3
InChIKeyRRACAHMQZYFWLF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds2

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

1-(2-methoxyphenyl)-1,2,4-triazole (PubChem CID 53415459) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1,2,4-triazole
PubChem CID53415459
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-n1cncn1
InChIInChI=1S/C9H9N3O/c1-13-9-5-3-2-4-8(9)12-7-10-6-11-12/h2-7H,1H3
InChIKeyRRACAHMQZYFWLF-UHFFFAOYSA-N
XLogP1.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-1,2,4-triazole (CID 53415459) is 1-(2-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-1,2,4-triazole is COc1ccccc1-n1cncn1.
What is the InChIKey of 1-(2-methoxyphenyl)-1,2,4-triazole?
The InChIKey is RRACAHMQZYFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-9-5-3-2-4-8(9)12-7-10-6-11-12/h2-7H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-1,2,4-triazole?
1-(2-methoxyphenyl)-1,2,4-triazole has a molecular weight of 175.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 53415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).