2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C12H11N5O2 — CID 106398645

IUPAC2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCc2ncon2)nc2ccccn12
InChIInChI=1S/C12H11N5O2/c18-12-5-9(6-13-7-10-14-8-19-16-10)15-11-3-1-2-4-17(11)12/h1-5,8,13H,6-7H2
InChIKeyMCYQSFAMHRWXBP-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.37
Rot. Bonds4

About 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106398645) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106398645
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCc2ncon2)nc2ccccn12
InChIInChI=1S/C12H11N5O2/c18-12-5-9(6-13-7-10-14-8-19-16-10)15-11-3-1-2-4-17(11)12/h1-5,8,13H,6-7H2
InChIKeyMCYQSFAMHRWXBP-UHFFFAOYSA-N
XLogP0.37
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 106398645) is 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCc2ncon2)nc2ccccn12.
What is the InChIKey of 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MCYQSFAMHRWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-12-5-9(6-13-7-10-14-8-19-16-10)15-11-3-1-2-4-17(11)12/h1-5,8,13H,6-7H2.
What are the key properties of 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106398645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).