1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

C9H10N4O2 — CID 91623952

IUPAC1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNCc1noc(Cn2ccccc2=O)n1
InChIInChI=1S/C9H10N4O2/c10-5-7-11-8(15-12-7)6-13-4-2-1-3-9(13)14/h1-4H,5-6,10H2
InChIKeyOHLQMECHJIFHFC-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.26
Rot. Bonds3

About 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (PubChem CID 91623952) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
PubChem CID91623952
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNCc1noc(Cn2ccccc2=O)n1
InChIInChI=1S/C9H10N4O2/c10-5-7-11-8(15-12-7)6-13-4-2-1-3-9(13)14/h1-4H,5-6,10H2
InChIKeyOHLQMECHJIFHFC-UHFFFAOYSA-N
XLogP-0.26
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (CID 91623952) is 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is NCc1noc(Cn2ccccc2=O)n1.
What is the InChIKey of 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is OHLQMECHJIFHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-5-7-11-8(15-12-7)6-13-4-2-1-3-9(13)14/h1-4H,5-6,10H2.
What are the key properties of 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 206.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 91623952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).