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

C13H18N4S — CID 62721642

IUPAC2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCn1nc(C2CCCCC2)nc1-c1sccc1N
InChIInChI=1S/C13H18N4S/c1-17-13(11-10(14)7-8-18-11)15-12(16-17)9-5-3-2-4-6-9/h7-9H,2-6,14H2,1H3
InChIKeyDREKAZWAPCXIEC-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds2

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

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 62721642) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID62721642
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCn1nc(C2CCCCC2)nc1-c1sccc1N
InChIInChI=1S/C13H18N4S/c1-17-13(11-10(14)7-8-18-11)15-12(16-17)9-5-3-2-4-6-9/h7-9H,2-6,14H2,1H3
InChIKeyDREKAZWAPCXIEC-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 62721642) is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is Cn1nc(C2CCCCC2)nc1-c1sccc1N.
What is the InChIKey of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is DREKAZWAPCXIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17-13(11-10(14)7-8-18-11)15-12(16-17)9-5-3-2-4-6-9/h7-9H,2-6,14H2,1H3.
What are the key properties of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 62721642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).