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

C11H15N5O2 — CID 114455453

IUPAC2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOC1CNC(c2nc3nc(C)cc(=O)n3[nH]2)C1
InChIInChI=1S/C11H15N5O2/c1-6-3-9(17)16-11(13-6)14-10(15-16)8-4-7(18-2)5-12-8/h3,7-8,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyKVNLFMLQXNBDFM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.22
Rot. Bonds2

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

2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455453) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455453
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOC1CNC(c2nc3nc(C)cc(=O)n3[nH]2)C1
InChIInChI=1S/C11H15N5O2/c1-6-3-9(17)16-11(13-6)14-10(15-16)8-4-7(18-2)5-12-8/h3,7-8,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyKVNLFMLQXNBDFM-UHFFFAOYSA-N
XLogP-0.22
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455453) is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COC1CNC(c2nc3nc(C)cc(=O)n3[nH]2)C1.
What is the InChIKey of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KVNLFMLQXNBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-3-9(17)16-11(13-6)14-10(15-16)8-4-7(18-2)5-12-8/h3,7-8,12H,4-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 249.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).