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

C12H18N6OS — CID 71969900

IUPAC3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCn3nc(COC)nc32)n1
InChIInChI=1S/C12H18N6OS/c1-3-9-15-12(20-17-9)13-8-5-4-6-18-11(8)14-10(16-18)7-19-2/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyUIXMNSCVYPPLJM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.79
Rot. Bonds5

About 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 71969900) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
PubChem CID71969900
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCn3nc(COC)nc32)n1
InChIInChI=1S/C12H18N6OS/c1-3-9-15-12(20-17-9)13-8-5-4-6-18-11(8)14-10(16-18)7-19-2/h8H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyUIXMNSCVYPPLJM-UHFFFAOYSA-N
XLogP1.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine (CID 71969900) is 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCCn3nc(COC)nc32)n1.
What is the InChIKey of 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is UIXMNSCVYPPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-9-15-12(20-17-9)13-8-5-4-6-18-11(8)14-10(16-18)7-19-2/h8H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 294.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71969900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).