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

C10H13F2N5O2 — CID 107485080

IUPAC5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2nc[nH]n12
InChIInChI=1S/C10H13F2N5O2/c11-8(12)5-16(1-2-18)4-7-3-9(19)17-10(15-7)13-6-14-17/h3,6,8,18H,1-2,4-5H2,(H,13,14,15)
InChIKeyUURWBGMRDYXTAA-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.52
Rot. Bonds6

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

5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 107485080) has the molecular formula C10H13F2N5O2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID107485080
Molecular FormulaC10H13F2N5O2
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2nc[nH]n12
InChIInChI=1S/C10H13F2N5O2/c11-8(12)5-16(1-2-18)4-7-3-9(19)17-10(15-7)13-6-14-17/h3,6,8,18H,1-2,4-5H2,(H,13,14,15)
InChIKeyUURWBGMRDYXTAA-UHFFFAOYSA-N
XLogP-0.52
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 107485080) is 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN(CCO)CC(F)F)nc2nc[nH]n12.
What is the InChIKey of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UURWBGMRDYXTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O2/c11-8(12)5-16(1-2-18)4-7-3-9(19)17-10(15-7)13-6-14-17/h3,6,8,18H,1-2,4-5H2,(H,13,14,15).
What are the key properties of 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 273.24 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 107485080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).