[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine

C11H20N4S — CID 43530244

IUPAC[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H20N4S/c1-2-8-3-4-9(6-12)10(5-8)16-11-13-7-14-15-11/h7-10H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyZVMDHELQBOFLKX-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.05
Rot. Bonds4

About [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine

[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine (PubChem CID 43530244) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine
PubChem CID43530244
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H20N4S/c1-2-8-3-4-9(6-12)10(5-8)16-11-13-7-14-15-11/h7-10H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyZVMDHELQBOFLKX-UHFFFAOYSA-N
XLogP2.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine (CID 43530244) is [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine is CCC1CCC(CN)C(Sc2ncn[nH]2)C1.
What is the InChIKey of [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine?
The InChIKey is ZVMDHELQBOFLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-8-3-4-9(6-12)10(5-8)16-11-13-7-14-15-11/h7-10H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine?
[4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine is sourced from PubChem (CID 43530244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).