2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine

C9H12N4OS — CID 62709711

IUPAC2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
SMILESCOCCn1cnnc1-c1sccc1N
InChIInChI=1S/C9H12N4OS/c1-14-4-3-13-6-11-12-9(13)8-7(10)2-5-15-8/h2,5-6H,3-4,10H2,1H3
InChIKeyNJZDYNLUTVPZAB-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine

2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine (PubChem CID 62709711) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
PubChem CID62709711
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
SMILESCOCCn1cnnc1-c1sccc1N
InChIInChI=1S/C9H12N4OS/c1-14-4-3-13-6-11-12-9(13)8-7(10)2-5-15-8/h2,5-6H,3-4,10H2,1H3
InChIKeyNJZDYNLUTVPZAB-UHFFFAOYSA-N
XLogP1.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine?
The IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine (CID 62709711) is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine is COCCn1cnnc1-c1sccc1N.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine?
The InChIKey is NJZDYNLUTVPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-14-4-3-13-6-11-12-9(13)8-7(10)2-5-15-8/h2,5-6H,3-4,10H2,1H3.
What are the key properties of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine?
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine has a molecular weight of 224.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine is sourced from PubChem (CID 62709711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).