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

C6H14BrN3OS — CID 2777341

IUPAC2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
SMILESBr.CSC1=NCN(CCO)CN1
InChIInChI=1S/C6H13N3OS.BrH/c1-11-6-7-4-9(2-3-10)5-8-6;/h10H,2-5H2,1H3,(H,7,8);1H
InChIKeyKMOGJVMMVJOFGB-UHFFFAOYSA-N
MW256.17 g/mol
LogP0.10
Rot. Bonds2

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

2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide (PubChem CID 2777341) has the molecular formula C6H14BrN3OS and a molecular weight of 256.17 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
PubChem CID2777341
Molecular FormulaC6H14BrN3OS
Molecular Weight256.17 g/mol
Exact Mass255.00
IUPAC Name2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
SMILESBr.CSC1=NCN(CCO)CN1
InChIInChI=1S/C6H13N3OS.BrH/c1-11-6-7-4-9(2-3-10)5-8-6;/h10H,2-5H2,1H3,(H,7,8);1H
InChIKeyKMOGJVMMVJOFGB-UHFFFAOYSA-N
XLogP0.10
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 50.10
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;hydrobromide?
The IUPAC name of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide (CID 2777341) is 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide is Br.CSC1=NCN(CCO)CN1.
What is the InChIKey of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
The InChIKey is KMOGJVMMVJOFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS.BrH/c1-11-6-7-4-9(2-3-10)5-8-6;/h10H,2-5H2,1H3,(H,7,8);1H.
What are the key properties of 2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide has a molecular weight of 256.17 g/mol, XLogP of 0.10, 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;hydrobromide is sourced from PubChem (CID 2777341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).