2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine

C13H18N4S — CID 79862366

IUPAC2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine
SMILESCC1(C)CCC(Sc2nnc3ccccn23)C1N
InChIInChI=1S/C13H18N4S/c1-13(2)7-6-9(11(13)14)18-12-16-15-10-5-3-4-8-17(10)12/h3-5,8-9,11H,6-7,14H2,1-2H3
InChIKeyRGFZLRNCMUMENM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.34
Rot. Bonds2

About 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine

2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine (PubChem CID 79862366) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine
PubChem CID79862366
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine
SMILESCC1(C)CCC(Sc2nnc3ccccn23)C1N
InChIInChI=1S/C13H18N4S/c1-13(2)7-6-9(11(13)14)18-12-16-15-10-5-3-4-8-17(10)12/h3-5,8-9,11H,6-7,14H2,1-2H3
InChIKeyRGFZLRNCMUMENM-UHFFFAOYSA-N
XLogP2.34
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine (CID 79862366) is 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine is CC1(C)CCC(Sc2nnc3ccccn23)C1N.
What is the InChIKey of 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is RGFZLRNCMUMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2)7-6-9(11(13)14)18-12-16-15-10-5-3-4-8-17(10)12/h3-5,8-9,11H,6-7,14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine?
2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 79862366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).