5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H15N5O2 — CID 62370836

IUPAC5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCC(CO)C2)nc2nc[nH]n12
InChIInChI=1S/C11H15N5O2/c17-6-8-1-2-15(4-8)5-9-3-10(18)16-11(14-9)12-7-13-16/h3,7-8,17H,1-2,4-6H2,(H,12,13,14)
InChIKeyPPVCEEFJQPMCMV-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.77
Rot. Bonds3

About 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62370836) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62370836
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCC(CO)C2)nc2nc[nH]n12
InChIInChI=1S/C11H15N5O2/c17-6-8-1-2-15(4-8)5-9-3-10(18)16-11(14-9)12-7-13-16/h3,7-8,17H,1-2,4-6H2,(H,12,13,14)
InChIKeyPPVCEEFJQPMCMV-UHFFFAOYSA-N
XLogP-0.77
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
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-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62370836) is 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCC(CO)C2)nc2nc[nH]n12.
What is the InChIKey of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PPVCEEFJQPMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-6-8-1-2-15(4-8)5-9-3-10(18)16-11(14-9)12-7-13-16/h3,7-8,17H,1-2,4-6H2,(H,12,13,14).
What are the key properties of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 249.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62370836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).