6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile

C12H8N4O — CID 11579464

IUPAC6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile
SMILESN#CC1=NOC(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C12H8N4O/c13-6-9-11(8-4-2-1-3-5-8)10(7-14)16-17-12(9)15/h1-5,11H,15H2
InChIKeyPBHFNHGGWCTGKO-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.37
Rot. Bonds1

About 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile

6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile (PubChem CID 11579464) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile.

Molecular Properties

Compound Name6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile
PubChem CID11579464
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile
SMILESN#CC1=NOC(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C12H8N4O/c13-6-9-11(8-4-2-1-3-5-8)10(7-14)16-17-12(9)15/h1-5,11H,15H2
InChIKeyPBHFNHGGWCTGKO-UHFFFAOYSA-N
XLogP1.37
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
(8S)-6-amino-8-phenyl-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 51973770
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
CID 134110647
2-amino-5-oxo-4-phenyl-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 4915894
(4R,7R)-2-amino-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 975050

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile?
The IUPAC name of 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile (CID 11579464) is 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile.
What is the SMILES notation for 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile?
The canonical SMILES for 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile is N#CC1=NOC(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile?
The InChIKey is PBHFNHGGWCTGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c13-6-9-11(8-4-2-1-3-5-8)10(7-14)16-17-12(9)15/h1-5,11H,15H2.
What are the key properties of 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile?
6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile has a molecular weight of 224.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile is sourced from PubChem (CID 11579464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).