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

C14H20N4S — CID 55111608

IUPAC5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C14H20N4S/c1-9-8-11(15)19-12(9)14-16-13(17-18(14)2)10-6-4-3-5-7-10/h8,10H,3-7,15H2,1-2H3
InChIKeyKRVXFMWIBVYWOP-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.48
Rot. Bonds2

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

5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine (PubChem CID 55111608) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
PubChem CID55111608
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C14H20N4S/c1-9-8-11(15)19-12(9)14-16-13(17-18(14)2)10-6-4-3-5-7-10/h8,10H,3-7,15H2,1-2H3
InChIKeyKRVXFMWIBVYWOP-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The IUPAC name of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine (CID 55111608) is 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine.
What is the SMILES notation for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The canonical SMILES for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(C2CCCCC2)nn1C.
What is the InChIKey of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
The InChIKey is KRVXFMWIBVYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-8-11(15)19-12(9)14-16-13(17-18(14)2)10-6-4-3-5-7-10/h8,10H,3-7,15H2,1-2H3.
What are the key properties of 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine?
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine is sourced from PubChem (CID 55111608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).