2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C13H22N4S — CID 71915732

IUPAC2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCc1nc2n(n1)CCCC2NC1CCSCC1
InChIInChI=1S/C13H22N4S/c1-2-12-15-13-11(4-3-7-17(13)16-12)14-10-5-8-18-9-6-10/h10-11,14H,2-9H2,1H3
InChIKeyVJBJDIXUPQIIGK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.16
Rot. Bonds3

About 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 71915732) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID71915732
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCc1nc2n(n1)CCCC2NC1CCSCC1
InChIInChI=1S/C13H22N4S/c1-2-12-15-13-11(4-3-7-17(13)16-12)14-10-5-8-18-9-6-10/h10-11,14H,2-9H2,1H3
InChIKeyVJBJDIXUPQIIGK-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Related Compounds

2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71695325
2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 54592621
2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71915728
3-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]thiomorpholine
CID 66419976
N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thian-4-amine
CID 71929244
3-[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine
CID 82908537
3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]thiomorpholine
CID 82917988
N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thian-4-amine
CID 97068665
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thian-4-amine
CID 97068666
5-methylsulfanyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-amine
CID 103088903
4-ethylsulfanyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-amine
CID 116504145
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50971482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 71915732) is 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCc1nc2n(n1)CCCC2NC1CCSCC1.
What is the InChIKey of 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is VJBJDIXUPQIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-12-15-13-11(4-3-7-17(13)16-12)14-10-5-8-18-9-6-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 266.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 71915732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).