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

C15H20N4S — CID 75515390

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc2n(n1)CCCC2NC1CCCc2sccc21
InChIInChI=1S/C15H20N4S/c1-10-16-15-13(5-3-8-19(15)18-10)17-12-4-2-6-14-11(12)7-9-20-14/h7,9,12-13,17H,2-6,8H2,1H3
InChIKeyGLHBRVPOPJNUGG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.15
Rot. Bonds2

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

2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75515390) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75515390
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc2n(n1)CCCC2NC1CCCc2sccc21
InChIInChI=1S/C15H20N4S/c1-10-16-15-13(5-3-8-19(15)18-10)17-12-4-2-6-14-11(12)7-9-20-14/h7,9,12-13,17H,2-6,8H2,1H3
InChIKeyGLHBRVPOPJNUGG-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-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 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75515390) is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Cc1nc2n(n1)CCCC2NC1CCCc2sccc21.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is GLHBRVPOPJNUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-16-15-13(5-3-8-19(15)18-10)17-12-4-2-6-14-11(12)7-9-20-14/h7,9,12-13,17H,2-6,8H2,1H3.
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 288.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75515390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).