5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H12F3N5O2 — CID 107485770

IUPAC5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CC(F)(F)F)nc2nc[nH]n12
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)5-17(1-2-19)4-7-3-8(20)18-9(16-7)14-6-15-18/h3,6,19H,1-2,4-5H2,(H,14,15,16)
InChIKeyGYOMQXAKOOJGOX-UHFFFAOYSA-N
MW291.23 g/mol
LogP-0.23
Rot. Bonds5

About 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 107485770) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID107485770
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CC(F)(F)F)nc2nc[nH]n12
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)5-17(1-2-19)4-7-3-8(20)18-9(16-7)14-6-15-18/h3,6,19H,1-2,4-5H2,(H,14,15,16)
InChIKeyGYOMQXAKOOJGOX-UHFFFAOYSA-N
XLogP-0.23
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 107485770) is 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN(CCO)CC(F)(F)F)nc2nc[nH]n12.
What is the InChIKey of 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GYOMQXAKOOJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c11-10(12,13)5-17(1-2-19)4-7-3-8(20)18-9(16-7)14-6-15-18/h3,6,19H,1-2,4-5H2,(H,14,15,16).
What are the key properties of 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 107485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).