6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one

C10H9N3O2 — CID 83493674

IUPAC6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
SMILESC#CCN1C(=O)COc2ccc(N)nc21
InChIInChI=1S/C10H9N3O2/c1-2-5-13-9(14)6-15-7-3-4-8(11)12-10(7)13/h1,3-4H,5-6H2,(H2,11,12)
InChIKeyCKFYCLFHMOFIQP-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.02
Rot. Bonds1

About 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one

6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 83493674) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID83493674
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
SMILESC#CCN1C(=O)COc2ccc(N)nc21
InChIInChI=1S/C10H9N3O2/c1-2-5-13-9(14)6-15-7-3-4-8(11)12-10(7)13/h1,3-4H,5-6H2,(H2,11,12)
InChIKeyCKFYCLFHMOFIQP-UHFFFAOYSA-N
XLogP0.02
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one (CID 83493674) is 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one is C#CCN1C(=O)COc2ccc(N)nc21.
What is the InChIKey of 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is CKFYCLFHMOFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-2-5-13-9(14)6-15-7-3-4-8(11)12-10(7)13/h1,3-4H,5-6H2,(H2,11,12).
What are the key properties of 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 203.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 83493674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).