3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C12H11N5O2 — CID 103057431

IUPAC3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCNc1cnc(Cn2c(=O)oc3cccnc32)cn1
InChIInChI=1S/C12H11N5O2/c1-13-10-6-15-8(5-16-10)7-17-11-9(19-12(17)18)3-2-4-14-11/h2-6H,7H2,1H3,(H,13,16)
InChIKeyVUYGVTHFONHKNN-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.87
Rot. Bonds3

About 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 103057431) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID103057431
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCNc1cnc(Cn2c(=O)oc3cccnc32)cn1
InChIInChI=1S/C12H11N5O2/c1-13-10-6-15-8(5-16-10)7-17-11-9(19-12(17)18)3-2-4-14-11/h2-6H,7H2,1H3,(H,13,16)
InChIKeyVUYGVTHFONHKNN-UHFFFAOYSA-N
XLogP0.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 103057431) is 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CNc1cnc(Cn2c(=O)oc3cccnc32)cn1.
What is the InChIKey of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VUYGVTHFONHKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-13-10-6-15-8(5-16-10)7-17-11-9(19-12(17)18)3-2-4-14-11/h2-6H,7H2,1H3,(H,13,16).
What are the key properties of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 257.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 103057431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).