3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one

C10H11N3O3 — CID 67644966

IUPAC3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOc1ccccc1Oc1n[nH]c(=O)n1C
InChIInChI=1S/C10H11N3O3/c1-13-9(14)11-12-10(13)16-8-6-4-3-5-7(8)15-2/h3-6H,1-2H3,(H,11,14)
InChIKeyDUJPXNRSYIWCAA-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.91
Rot. Bonds3

About 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one

3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 67644966) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID67644966
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOc1ccccc1Oc1n[nH]c(=O)n1C
InChIInChI=1S/C10H11N3O3/c1-13-9(14)11-12-10(13)16-8-6-4-3-5-7(8)15-2/h3-6H,1-2H3,(H,11,14)
InChIKeyDUJPXNRSYIWCAA-UHFFFAOYSA-N
XLogP0.91
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one (CID 67644966) is 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one is COc1ccccc1Oc1n[nH]c(=O)n1C.
What is the InChIKey of 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is DUJPXNRSYIWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-13-9(14)11-12-10(13)16-8-6-4-3-5-7(8)15-2/h3-6H,1-2H3,(H,11,14).
What are the key properties of 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one?
3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 221.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 67644966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).