3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole

C11H15N3OS — CID 115393561

IUPAC3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCc1ccc(-c2nncn2CCOC)s1
InChIInChI=1S/C11H15N3OS/c1-3-9-4-5-10(16-9)11-13-12-8-14(11)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZIOYBTOUSFVKOY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.22
Rot. Bonds5

About 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393561) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393561
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCc1ccc(-c2nncn2CCOC)s1
InChIInChI=1S/C11H15N3OS/c1-3-9-4-5-10(16-9)11-13-12-8-14(11)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZIOYBTOUSFVKOY-UHFFFAOYSA-N
XLogP2.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395179
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115393552
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
CID 114916524
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393561) is 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole is CCc1ccc(-c2nncn2CCOC)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is ZIOYBTOUSFVKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-9-4-5-10(16-9)11-13-12-8-14(11)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 237.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).