1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol

C11H19N3O — CID 121221662

IUPAC1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(C)c1nc(C(C)C)nc(C(C)O)n1
InChIInChI=1S/C11H19N3O/c1-6(2)9-12-10(7(3)4)14-11(13-9)8(5)15/h6-8,15H,1-5H3
InChIKeyQLRAWNUZWZEGTO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.17
Rot. Bonds3

About 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol

1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol (PubChem CID 121221662) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol
PubChem CID121221662
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(C)c1nc(C(C)C)nc(C(C)O)n1
InChIInChI=1S/C11H19N3O/c1-6(2)9-12-10(7(3)4)14-11(13-9)8(5)15/h6-8,15H,1-5H3
InChIKeyQLRAWNUZWZEGTO-UHFFFAOYSA-N
XLogP2.17
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol (CID 121221662) is 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol is CC(C)c1nc(C(C)C)nc(C(C)O)n1.
What is the InChIKey of 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is QLRAWNUZWZEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6(2)9-12-10(7(3)4)14-11(13-9)8(5)15/h6-8,15H,1-5H3.
What are the key properties of 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol?
1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 121221662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).