2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine

C11H20N4S — CID 65144274

IUPAC2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(CSC2CCCCC2)n1
InChIInChI=1S/C11H20N4S/c12-7-6-10-13-11(15-14-10)8-16-9-4-2-1-3-5-9/h9H,1-8,12H2,(H,13,14,15)
InChIKeySZJCFCMZADIJHT-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.87
Rot. Bonds5

About 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine

2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 65144274) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID65144274
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(CSC2CCCCC2)n1
InChIInChI=1S/C11H20N4S/c12-7-6-10-13-11(15-14-10)8-16-9-4-2-1-3-5-9/h9H,1-8,12H2,(H,13,14,15)
InChIKeySZJCFCMZADIJHT-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-[4H-1,2,4-Triazole-3,5-diylbis(methylenesulfanediyl)]di(ethan-1-amine)
CID 12923411
2-[[3-(2-aminoethylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]ethanamine;trihydrobromide
CID 20557934
1-(3-amino-1H-1,2,4-triazol-5-yl)-2-hexylsulfanylethanethiol
CID 57214012
ethane;[3-(2-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 177033840
3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 28915754
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50979735
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61279356
3-methylsulfanyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 61338145
N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclohexanamine
CID 62579580
3-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 62950924
2-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 62952254
3-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64546167

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 65144274) is 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine is NCCc1n[nH]c(CSC2CCCCC2)n1.
What is the InChIKey of 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is SZJCFCMZADIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c12-7-6-10-13-11(15-14-10)8-16-9-4-2-1-3-5-9/h9H,1-8,12H2,(H,13,14,15).
What are the key properties of 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 65144274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).