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

C13H19N5O2 — CID 62013894

IUPAC5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)C2CCCC2)nc2nc[nH]n12
InChIInChI=1S/C13H19N5O2/c19-6-5-17(11-3-1-2-4-11)8-10-7-12(20)18-13(16-10)14-9-15-18/h7,9,11,19H,1-6,8H2,(H,14,15,16)
InChIKeyHUNOWRRJLFNQPH-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.15
Rot. Bonds5

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

5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62013894) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62013894
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)C2CCCC2)nc2nc[nH]n12
InChIInChI=1S/C13H19N5O2/c19-6-5-17(11-3-1-2-4-11)8-10-7-12(20)18-13(16-10)14-9-15-18/h7,9,11,19H,1-6,8H2,(H,14,15,16)
InChIKeyHUNOWRRJLFNQPH-UHFFFAOYSA-N
XLogP0.15
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62013894) is 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN(CCO)C2CCCC2)nc2nc[nH]n12.
What is the InChIKey of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HUNOWRRJLFNQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-6-5-17(11-3-1-2-4-11)8-10-7-12(20)18-13(16-10)14-9-15-18/h7,9,11,19H,1-6,8H2,(H,14,15,16).
What are the key properties of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 277.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62013894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).