2H-oxazine;pyridine;triazine

C12H13N5O — CID 162230767

IUPAC2H-oxazine;pyridine;triazine
SMILESC1=CNOC=C1.c1ccncc1.c1cnnnc1
InChIInChI=1S/C5H5N.C4H5NO.C3H3N3/c3*1-2-4-6-5-3-1/h2*1-5H;1-3H
InChIKeyZVJWBAOEJGXYKJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.50
Rot. Bonds

About 2H-oxazine;pyridine;triazine

2H-oxazine;pyridine;triazine (PubChem CID 162230767) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2H-oxazine;pyridine;triazine.

Molecular Properties

Compound Name2H-oxazine;pyridine;triazine
PubChem CID162230767
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2H-oxazine;pyridine;triazine
SMILESC1=CNOC=C1.c1ccncc1.c1cnnnc1
InChIInChI=1S/C5H5N.C4H5NO.C3H3N3/c3*1-2-4-6-5-3-1/h2*1-5H;1-3H
InChIKeyZVJWBAOEJGXYKJ-UHFFFAOYSA-N
XLogP1.50
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;pyridine;triazine?
The IUPAC name of 2H-oxazine;pyridine;triazine (CID 162230767) is 2H-oxazine;pyridine;triazine.
What is the SMILES notation for 2H-oxazine;pyridine;triazine?
The canonical SMILES for 2H-oxazine;pyridine;triazine is C1=CNOC=C1.c1ccncc1.c1cnnnc1.
What is the InChIKey of 2H-oxazine;pyridine;triazine?
The InChIKey is ZVJWBAOEJGXYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H5NO.C3H3N3/c3*1-2-4-6-5-3-1/h2*1-5H;1-3H.
What are the key properties of 2H-oxazine;pyridine;triazine?
2H-oxazine;pyridine;triazine has a molecular weight of 243.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;pyridine;triazine is sourced from PubChem (CID 162230767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).