5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine

C15H20N4S — CID 105362612

IUPAC5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCCc3sccc32)nc1CC
InChIInChI=1S/C15H20N4S/c1-3-11-12(4-2)18-19-15(16-11)17-13-6-5-7-14-10(13)8-9-20-14/h8-9,13H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyKJLPEWMUIFGYLK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.55
Rot. Bonds4

About 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine (PubChem CID 105362612) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
PubChem CID105362612
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCCc3sccc32)nc1CC
InChIInChI=1S/C15H20N4S/c1-3-11-12(4-2)18-19-15(16-11)17-13-6-5-7-14-10(13)8-9-20-14/h8-9,13H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyKJLPEWMUIFGYLK-UHFFFAOYSA-N
XLogP3.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-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 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine (CID 105362612) is 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine is CCc1nnc(NC2CCCc3sccc32)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine?
The InChIKey is KJLPEWMUIFGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-11-12(4-2)18-19-15(16-11)17-13-6-5-7-14-10(13)8-9-20-14/h8-9,13H,3-7H2,1-2H3,(H,16,17,19).
What are the key properties of 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine has a molecular weight of 288.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).