4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole

C12H15N3O2 — CID 113300999

IUPAC4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cccc(OC)c1
InChIInChI=1S/C12H15N3O2/c1-16-7-6-15-9-13-14-12(15)10-4-3-5-11(8-10)17-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyOGQRTQMGMXEGBS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole (PubChem CID 113300999) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
PubChem CID113300999
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cccc(OC)c1
InChIInChI=1S/C12H15N3O2/c1-16-7-6-15-9-13-14-12(15)10-4-3-5-11(8-10)17-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyOGQRTQMGMXEGBS-UHFFFAOYSA-N
XLogP1.60
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 3228103
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
CID 113301344
4-(2-methoxyethyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
CID 47095203
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
CID 82472180
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 104559539
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
CID 103123714
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole (CID 113300999) is 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole is COCCn1cnnc1-c1cccc(OC)c1.
What is the InChIKey of 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole?
The InChIKey is OGQRTQMGMXEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-6-15-9-13-14-12(15)10-4-3-5-11(8-10)17-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 113300999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).