2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine

C12H16N4S — CID 64634946

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCCCC1Sc1nnc2ccccn12
InChIInChI=1S/C12H16N4S/c13-9-5-1-2-6-10(9)17-12-15-14-11-7-3-4-8-16(11)12/h3-4,7-10H,1-2,5-6,13H2
InChIKeyOXWZOCIXUSSAAX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.09
Rot. Bonds2

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

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64634946) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
PubChem CID64634946
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCCCC1Sc1nnc2ccccn12
InChIInChI=1S/C12H16N4S/c13-9-5-1-2-6-10(9)17-12-15-14-11-7-3-4-8-16(11)12/h3-4,7-10H,1-2,5-6,13H2
InChIKeyOXWZOCIXUSSAAX-UHFFFAOYSA-N
XLogP2.09
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine (CID 64634946) is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine is NC1CCCCC1Sc1nnc2ccccn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is OXWZOCIXUSSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-9-5-1-2-6-10(9)17-12-15-14-11-7-3-4-8-16(11)12/h3-4,7-10H,1-2,5-6,13H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64634946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).