2H-oxazine;phenazine

C16H13N3O — CID 22164631

IUPAC2H-oxazine;phenazine
SMILESC1=CNOC=C1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.C4H5NO/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-6-5-3-1/h1-8H;1-5H
InChIKeyZFIVVECWNCQIRA-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.33
Rot. Bonds

About 2H-oxazine;phenazine

2H-oxazine;phenazine (PubChem CID 22164631) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2H-oxazine;phenazine.

Molecular Properties

Compound Name2H-oxazine;phenazine
PubChem CID22164631
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2H-oxazine;phenazine
SMILESC1=CNOC=C1.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.C4H5NO/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-6-5-3-1/h1-8H;1-5H
InChIKeyZFIVVECWNCQIRA-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;phenazine?
The IUPAC name of 2H-oxazine;phenazine (CID 22164631) is 2H-oxazine;phenazine.
What is the SMILES notation for 2H-oxazine;phenazine?
The canonical SMILES for 2H-oxazine;phenazine is C1=CNOC=C1.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 2H-oxazine;phenazine?
The InChIKey is ZFIVVECWNCQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C4H5NO/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-6-5-3-1/h1-8H;1-5H.
What are the key properties of 2H-oxazine;phenazine?
2H-oxazine;phenazine has a molecular weight of 263.30 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;phenazine is sourced from PubChem (CID 22164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).