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

C9H12N4S — CID 62696837

IUPAC5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
SMILESCCn1ncnc1-c1sc(N)cc1C
InChIInChI=1S/C9H12N4S/c1-3-13-9(11-5-12-13)8-6(2)4-7(10)14-8/h4-5H,3,10H2,1-2H3
InChIKeyHWTOSFNOJVPAQU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.92
Rot. Bonds2

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

5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine (PubChem CID 62696837) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
PubChem CID62696837
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
SMILESCCn1ncnc1-c1sc(N)cc1C
InChIInChI=1S/C9H12N4S/c1-3-13-9(11-5-12-13)8-6(2)4-7(10)14-8/h4-5H,3,10H2,1-2H3
InChIKeyHWTOSFNOJVPAQU-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 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine (CID 62696837) is 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine.
What is the SMILES notation for 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The canonical SMILES for 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine is CCn1ncnc1-c1sc(N)cc1C.
What is the InChIKey of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The InChIKey is HWTOSFNOJVPAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-13-9(11-5-12-13)8-6(2)4-7(10)14-8/h4-5H,3,10H2,1-2H3.
What are the key properties of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-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 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine is sourced from PubChem (CID 62696837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).