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

C11H16N6OS — CID 75380671

IUPACN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C)ns1
InChIInChI=1S/C11H16N6OS/c1-7-12-11(19-16-7)13-8-4-3-5-17-10(8)14-9(15-17)6-18-2/h8H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyMUJUJUZVFHLDGU-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 75380671) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID75380671
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C)ns1
InChIInChI=1S/C11H16N6OS/c1-7-12-11(19-16-7)13-8-4-3-5-17-10(8)14-9(15-17)6-18-2/h8H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyMUJUJUZVFHLDGU-UHFFFAOYSA-N
XLogP1.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 75380671) is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine is COCc1nc2n(n1)CCCC2Nc1nc(C)ns1.
What is the InChIKey of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MUJUJUZVFHLDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-7-12-11(19-16-7)13-8-4-3-5-17-10(8)14-9(15-17)6-18-2/h8H,3-6H2,1-2H3,(H,12,13,16).
What are the key properties of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 280.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75380671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).