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

C15H22N4S — CID 64634362

IUPACN-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nnc2ccccn12
InChIInChI=1S/C15H22N4S/c1-3-16-12-8-7-11(2)10-13(12)20-15-18-17-14-6-4-5-9-19(14)15/h4-6,9,11-13,16H,3,7-8,10H2,1-2H3
InChIKeyHGKQDYBKFRQMRI-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.99
Rot. Bonds4

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

N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64634362) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
PubChem CID64634362
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nnc2ccccn12
InChIInChI=1S/C15H22N4S/c1-3-16-12-8-7-11(2)10-13(12)20-15-18-17-14-6-4-5-9-19(14)15/h4-6,9,11-13,16H,3,7-8,10H2,1-2H3
InChIKeyHGKQDYBKFRQMRI-UHFFFAOYSA-N
XLogP2.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine (CID 64634362) is N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine is CCNC1CCC(C)CC1Sc1nnc2ccccn12.
What is the InChIKey of N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is HGKQDYBKFRQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-16-12-8-7-11(2)10-13(12)20-15-18-17-14-6-4-5-9-19(14)15/h4-6,9,11-13,16H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64634362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).