2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C10H13N3O3 — CID 116990549

IUPAC2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)C(C(N)CO)Oc2cccnc21
InChIInChI=1S/C10H13N3O3/c1-13-9-7(3-2-4-12-9)16-8(10(13)15)6(11)5-14/h2-4,6,8,14H,5,11H2,1H3
InChIKeyGEHVFRVRIUSNGJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.88
Rot. Bonds2

About 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one

2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990549) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990549
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)C(C(N)CO)Oc2cccnc21
InChIInChI=1S/C10H13N3O3/c1-13-9-7(3-2-4-12-9)16-8(10(13)15)6(11)5-14/h2-4,6,8,14H,5,11H2,1H3
InChIKeyGEHVFRVRIUSNGJ-UHFFFAOYSA-N
XLogP-0.88
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 116990549) is 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)C(C(N)CO)Oc2cccnc21.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GEHVFRVRIUSNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13-9-7(3-2-4-12-9)16-8(10(13)15)6(11)5-14/h2-4,6,8,14H,5,11H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 223.23 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).