5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine

C9H12N4S — CID 170147573

IUPAC5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine
SMILESCCc1ccc(-c2n[nH]nc2NC)s1
InChIInChI=1S/C9H12N4S/c1-3-6-4-5-7(14-6)8-9(10-2)12-13-11-8/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyOSPXWHPLYOKFIR-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.14
Rot. Bonds3

About 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine

5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine (PubChem CID 170147573) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine
PubChem CID170147573
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine
SMILESCCc1ccc(-c2n[nH]nc2NC)s1
InChIInChI=1S/C9H12N4S/c1-3-6-4-5-7(14-6)8-9(10-2)12-13-11-8/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyOSPXWHPLYOKFIR-UHFFFAOYSA-N
XLogP2.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine (CID 170147573) is 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine is CCc1ccc(-c2n[nH]nc2NC)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine?
The InChIKey is OSPXWHPLYOKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-6-4-5-7(14-6)8-9(10-2)12-13-11-8/h4-5H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine?
5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine has a molecular weight of 208.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine is sourced from PubChem (CID 170147573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).