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

C13H22N4OS — CID 71915728

IUPAC2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCCC2NC1CCSCC1
InChIInChI=1S/C13H22N4OS/c1-18-9-12-15-13-11(3-2-6-17(13)16-12)14-10-4-7-19-8-5-10/h10-11,14H,2-9H2,1H3
InChIKeyRKPHJWIBOZWZJO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.74
Rot. Bonds4

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

2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 71915728) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID71915728
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCCC2NC1CCSCC1
InChIInChI=1S/C13H22N4OS/c1-18-9-12-15-13-11(3-2-6-17(13)16-12)14-10-4-7-19-8-5-10/h10-11,14H,2-9H2,1H3
InChIKeyRKPHJWIBOZWZJO-UHFFFAOYSA-N
XLogP1.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 71915728) is 2-(methoxymethyl)-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-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CCCC2NC1CCSCC1.
What is the InChIKey of 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is RKPHJWIBOZWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-18-9-12-15-13-11(3-2-6-17(13)16-12)14-10-4-7-19-8-5-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 282.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(thian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 71915728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).