3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine

C11H20N4S — CID 4962748

IUPAC3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCSc1nnc(CCCN)n1C1CCCC1
InChIInChI=1S/C11H20N4S/c1-16-11-14-13-10(7-4-8-12)15(11)9-5-2-3-6-9/h9H,2-8,12H2,1H3
InChIKeyCHUGYRWUYVEDPA-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.01
Rot. Bonds5

About 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine

3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 4962748) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID4962748
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCSc1nnc(CCCN)n1C1CCCC1
InChIInChI=1S/C11H20N4S/c1-16-11-14-13-10(7-4-8-12)15(11)9-5-2-3-6-9/h9H,2-8,12H2,1H3
InChIKeyCHUGYRWUYVEDPA-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-3-methylsulfanyl-5-pyrrolidin-2-YL-4H-[1,2,4]triazole hydrochloride
CID 6602539
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-piperidine
CID 6603483
4-Methyl-3-methylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 646187
3-[4-(2-methylpropyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine hydroiodide
CID 42893063
3-[4-cyclopentyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine hydroiodide
CID 71758703
2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
CID 1448424
3-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623
N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexanamine
CID 3232082
6-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 4788174
4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 650653
1-[5-Methylsulfanyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 83900937
2-[3-(4-Cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473000

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine (CID 4962748) is 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine is CSc1nnc(CCCN)n1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is CHUGYRWUYVEDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-16-11-14-13-10(7-4-8-12)15(11)9-5-2-3-6-9/h9H,2-8,12H2,1H3.
What are the key properties of 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine?
3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 4962748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).