2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine

C9H12N4S — CID 61376060

IUPAC2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCCn1c(C)nnc1-c1sccc1N
InChIInChI=1S/C9H12N4S/c1-3-13-6(2)11-12-9(13)8-7(10)4-5-14-8/h4-5H,3,10H2,1-2H3
InChIKeyPKFVCADANQOYKZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine

2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 61376060) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID61376060
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCCn1c(C)nnc1-c1sccc1N
InChIInChI=1S/C9H12N4S/c1-3-13-6(2)11-12-9(13)8-7(10)4-5-14-8/h4-5H,3,10H2,1-2H3
InChIKeyPKFVCADANQOYKZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 61376060) is 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is CCn1c(C)nnc1-c1sccc1N.
What is the InChIKey of 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is PKFVCADANQOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-13-6(2)11-12-9(13)8-7(10)4-5-14-8/h4-5H,3,10H2,1-2H3.
What are the key properties of 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 208.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 61376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).