4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine

C11H20N4S — CID 64619458

IUPAC4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H20N4S/c1-3-8-4-5-9(12-2)10(6-8)16-11-13-7-14-15-11/h7-10,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBZXQEOHJWRIEKW-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.06
Rot. Bonds4

About 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine

4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64619458) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
PubChem CID64619458
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H20N4S/c1-3-8-4-5-9(12-2)10(6-8)16-11-13-7-14-15-11/h7-10,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBZXQEOHJWRIEKW-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine (CID 64619458) is 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine is CCC1CCC(NC)C(Sc2ncn[nH]2)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is BZXQEOHJWRIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-8-4-5-9(12-2)10(6-8)16-11-13-7-14-15-11/h7-10,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64619458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).