5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine

C10H20N4S — CID 4962421

IUPAC5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCn1c(CCCCCN)nnc1SC
InChIInChI=1S/C10H20N4S/c1-3-14-9(7-5-4-6-8-11)12-13-10(14)15-2/h3-8,11H2,1-2H3
InChIKeyFKKQDRISFZLVNQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.69
Rot. Bonds7

About 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine

5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 4962421) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID4962421
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCn1c(CCCCCN)nnc1SC
InChIInChI=1S/C10H20N4S/c1-3-14-9(7-5-4-6-8-11)12-13-10(14)15-2/h3-8,11H2,1-2H3
InChIKeyFKKQDRISFZLVNQ-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine
CID 16767696
3-[4-(3-methoxypropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine
CID 16767640
2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
CID 83886429
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
3-(bromomethyl)-4-ethyl-5-hexyl-1,2,4-triazole
CID 114754363
3-(chloromethyl)-4-ethyl-5-nonyl-1,2,4-triazole
CID 113302063
3-(3-aminopropylsulfanyl)-5-butyl-1,2,4-triazol-4-amine
CID 28915797
[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 80695220
5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61376855

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 4962421) is 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine is CCn1c(CCCCCN)nnc1SC.
What is the InChIKey of 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is FKKQDRISFZLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-14-9(7-5-4-6-8-11)12-13-10(14)15-2/h3-8,11H2,1-2H3.
What are the key properties of 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine?
5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 4962421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).