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

C10H17N3O2 — CID 134989836

IUPAC1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol
SMILESCC(C)c1nc(C(C)O)nc(C(C)O)n1
InChIInChI=1S/C10H17N3O2/c1-5(2)8-11-9(6(3)14)13-10(12-8)7(4)15/h5-7,14-15H,1-4H3
InChIKeyLCOZUQXJNLWAOF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.10
Rot. Bonds3

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

1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol (PubChem CID 134989836) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol
PubChem CID134989836
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol
SMILESCC(C)c1nc(C(C)O)nc(C(C)O)n1
InChIInChI=1S/C10H17N3O2/c1-5(2)8-11-9(6(3)14)13-10(12-8)7(4)15/h5-7,14-15H,1-4H3
InChIKeyLCOZUQXJNLWAOF-UHFFFAOYSA-N
XLogP1.10
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol (CID 134989836) is 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol is CC(C)c1nc(C(C)O)nc(C(C)O)n1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol?
The InChIKey is LCOZUQXJNLWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5(2)8-11-9(6(3)14)13-10(12-8)7(4)15/h5-7,14-15H,1-4H3.
What are the key properties of 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol?
1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 134989836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).