4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole

C9H11N3OS — CID 69250902

IUPAC4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1sccc1OC
InChIInChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyOINWGZIGTAZYGC-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.04
Rot. Bonds3

About 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole

4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole (PubChem CID 69250902) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
PubChem CID69250902
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1sccc1OC
InChIInChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyOINWGZIGTAZYGC-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
CID 115394795
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798185
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277
4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 115394689
4-ethyl-3-(3-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81121896
2-[[5-(3-methoxythiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392950
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254
4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole
CID 115394758

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole (CID 69250902) is 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole is CCn1cnnc1-c1sccc1OC.
What is the InChIKey of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The InChIKey is OINWGZIGTAZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole has a molecular weight of 209.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole is sourced from PubChem (CID 69250902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).