5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H15N5O3 — CID 166643248

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1(C)OCC(CNc2cc(=O)n3[nH]cnc3n2)O1
InChIInChI=1S/C11H15N5O3/c1-11(2)18-5-7(19-11)4-12-8-3-9(17)16-10(15-8)13-6-14-16/h3,6-7,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyZYTHWDKZUSUSNQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.02
Rot. Bonds3

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 166643248) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID166643248
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1(C)OCC(CNc2cc(=O)n3[nH]cnc3n2)O1
InChIInChI=1S/C11H15N5O3/c1-11(2)18-5-7(19-11)4-12-8-3-9(17)16-10(15-8)13-6-14-16/h3,6-7,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyZYTHWDKZUSUSNQ-UHFFFAOYSA-N
XLogP-0.02
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 166643248) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1(C)OCC(CNc2cc(=O)n3[nH]cnc3n2)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZYTHWDKZUSUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-11(2)18-5-7(19-11)4-12-8-3-9(17)16-10(15-8)13-6-14-16/h3,6-7,12H,4-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 265.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166643248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).