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

C10H15N5O2 — CID 55060786

IUPAC5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c1-7(16)4-14(2)5-8-3-9(17)15-10(13-8)11-6-12-15/h3,6-7,16H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyJARTYLRMGBDFGY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.77
Rot. Bonds4

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

5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 55060786) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID55060786
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c1-7(16)4-14(2)5-8-3-9(17)15-10(13-8)11-6-12-15/h3,6-7,16H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyJARTYLRMGBDFGY-UHFFFAOYSA-N
XLogP-0.77
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 55060786) is 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JARTYLRMGBDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7(16)4-14(2)5-8-3-9(17)15-10(13-8)11-6-12-15/h3,6-7,16H,4-5H2,1-2H3,(H,11,12,13).
What are the key properties of 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 237.26 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 55060786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).