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

C9H9N3O — CID 11084390

IUPAC1-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cncn2)cc1
InChIInChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-7-10-6-11-12/h2-7H,1H3
InChIKeyHXCCOAUMJBFQCC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds2

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

1-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 11084390) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID11084390
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cncn2)cc1
InChIInChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-7-10-6-11-12/h2-7H,1H3
InChIKeyHXCCOAUMJBFQCC-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-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-methoxyphenyl)-1,2,4-triazole (CID 11084390) is 1-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is HXCCOAUMJBFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-7-10-6-11-12/h2-7H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-1,2,4-triazole?
1-(4-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-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 11084390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).