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

C6H13N3OS — CID 2777342

IUPAC2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESCSC1=NCN(CCO)CN1
InChIInChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8)
InChIKeyIGIJRDWGRYBOFJ-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.48
Rot. Bonds2

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

2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (PubChem CID 2777342) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
PubChem CID2777342
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESCSC1=NCN(CCO)CN1
InChIInChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8)
InChIKeyIGIJRDWGRYBOFJ-UHFFFAOYSA-N
XLogP-0.48
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The IUPAC name of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (CID 2777342) is 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.
What is the SMILES notation for 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The canonical SMILES for 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is CSC1=NCN(CCO)CN1.
What is the InChIKey of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The InChIKey is IGIJRDWGRYBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-11-6-7-4-9(2-3-10)5-8-6/h10H,2-5H2,1H3,(H,7,8).
What are the key properties of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol has a molecular weight of 175.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is sourced from PubChem (CID 2777342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).