N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H18N4S — CID 114123724

IUPACN-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSC1CCCC(Nc2nc3ccccn3n2)C1
InChIInChI=1S/C13H18N4S/c1-18-11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,14,16)
InChIKeyOUFKMIDQERXERW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.82
Rot. Bonds3

About N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114123724) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114123724
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSC1CCCC(Nc2nc3ccccn3n2)C1
InChIInChI=1S/C13H18N4S/c1-18-11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,14,16)
InChIKeyOUFKMIDQERXERW-UHFFFAOYSA-N
XLogP2.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114123724) is N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CSC1CCCC(Nc2nc3ccccn3n2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OUFKMIDQERXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-18-11-6-4-5-10(9-11)14-13-15-12-7-2-3-8-17(12)16-13/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,14,16).
What are the key properties of N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114123724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).