4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole

C9H11N3OS — CID 115393515

IUPAC4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
SMILESCOCCn1cnnc1-c1ccsc1
InChIInChI=1S/C9H11N3OS/c1-13-4-3-12-7-10-11-9(12)8-2-5-14-6-8/h2,5-7H,3-4H2,1H3
InChIKeyFDSTWDFSKZCGMD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.65
Rot. Bonds4

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

4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole (PubChem CID 115393515) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
PubChem CID115393515
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
SMILESCOCCn1cnnc1-c1ccsc1
InChIInChI=1S/C9H11N3OS/c1-13-4-3-12-7-10-11-9(12)8-2-5-14-6-8/h2,5-7H,3-4H2,1H3
InChIKeyFDSTWDFSKZCGMD-UHFFFAOYSA-N
XLogP1.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
CID 114916524
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
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
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole (CID 115393515) is 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole is COCCn1cnnc1-c1ccsc1.
What is the InChIKey of 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole?
The InChIKey is FDSTWDFSKZCGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-13-4-3-12-7-10-11-9(12)8-2-5-14-6-8/h2,5-7H,3-4H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole?
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole has a molecular weight of 209.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole is sourced from PubChem (CID 115393515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).