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

C7H16BrN3OS — CID 2770195

IUPAC2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
SMILESBr.CCSC1=NCN(CCO)CN1
InChIInChI=1S/C7H15N3OS.BrH/c1-2-12-7-8-5-10(3-4-11)6-9-7;/h11H,2-6H2,1H3,(H,8,9);1H
InChIKeyCKXIIOMVXVPFTG-UHFFFAOYSA-N
MW270.20 g/mol
LogP0.49
Rot. Bonds3

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

2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide (PubChem CID 2770195) has the molecular formula C7H16BrN3OS and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
PubChem CID2770195
Molecular FormulaC7H16BrN3OS
Molecular Weight270.20 g/mol
Exact Mass269.02
IUPAC Name2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide
SMILESBr.CCSC1=NCN(CCO)CN1
InChIInChI=1S/C7H15N3OS.BrH/c1-2-12-7-8-5-10(3-4-11)6-9-7;/h11H,2-6H2,1H3,(H,8,9);1H
InChIKeyCKXIIOMVXVPFTG-UHFFFAOYSA-N
XLogP0.49
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
The IUPAC name of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide (CID 2770195) is 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide is Br.CCSC1=NCN(CCO)CN1.
What is the InChIKey of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
The InChIKey is CKXIIOMVXVPFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS.BrH/c1-2-12-7-8-5-10(3-4-11)6-9-7;/h11H,2-6H2,1H3,(H,8,9);1H.
What are the key properties of 2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide?
2-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol;hydrobromide has a molecular weight of 270.20 g/mol, XLogP of 0.49, 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;hydrobromide is sourced from PubChem (CID 2770195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).