1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole

C11H13N3O2 — CID 976063

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole
SMILESCOc1ccc(OCCn2cncn2)cc1
InChIInChI=1S/C11H13N3O2/c1-15-10-2-4-11(5-3-10)16-7-6-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3
InChIKeyJBUKUIBTDBRRAD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole

1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole (PubChem CID 976063) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole
PubChem CID976063
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole
SMILESCOc1ccc(OCCn2cncn2)cc1
InChIInChI=1S/C11H13N3O2/c1-15-10-2-4-11(5-3-10)16-7-6-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3
InChIKeyJBUKUIBTDBRRAD-UHFFFAOYSA-N
XLogP1.37
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1H-1,2,4-triazol-1-yl)ethoxy]benzonitrile
CID 976192
1-[2-(3-Phenoxyphenoxy)ethyl]-1,2,4-triazole
CID 976109
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
CID 976289
1-(2-{2-[4-(benzyloxy)phenoxy]ethoxy}ethyl)-1H-1,2,4-triazole
CID 2199936
1-[2-[2-[3-(Trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
CID 2199944
1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-
CID 2199997
1-[4-(2-fluorophenoxy)butyl]-1H-1,2,4-triazole
CID 2948887
1-(Propan-2-ylamino)-3-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenoxy]propan-2-ol
CID 20205276
1-(Propan-2-ylamino)-3-[4-[3-(1,2,4-triazol-1-yl)propoxy]phenoxy]propan-2-ol
CID 44364834
1-(3-Phenoxypropyl)-1,2,4-triazole
CID 60771734
1-(4-Phenoxybutyl)-1,2,4-triazole
CID 71769157
1-[3-(4-Iodophenoxy)propyl]-1,2,4-triazole
CID 71769285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole (CID 976063) is 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole is COc1ccc(OCCn2cncn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole?
The InChIKey is JBUKUIBTDBRRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-10-2-4-11(5-3-10)16-7-6-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole?
1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole has a molecular weight of 219.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 976063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).