2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol

C7H15N3OS — CID 2046779

IUPAC2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESCCSC1=NCN(CCO)CN1
InChIInChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9)
InChIKeyJXHMKHJWPCIYLX-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.09
Rot. Bonds3

About 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol

2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (PubChem CID 2046779) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
PubChem CID2046779
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESCCSC1=NCN(CCO)CN1
InChIInChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9)
InChIKeyJXHMKHJWPCIYLX-UHFFFAOYSA-N
XLogP-0.09
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol 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-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The IUPAC name of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (CID 2046779) is 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.
What is the SMILES notation for 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The canonical SMILES for 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is CCSC1=NCN(CCO)CN1.
What is the InChIKey of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The InChIKey is JXHMKHJWPCIYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-2-12-7-8-5-10(3-4-11)6-9-7/h11H,2-6H2,1H3,(H,8,9).
What are the key properties of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol has a molecular weight of 189.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is sourced from PubChem (CID 2046779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).