3,3-dimethyl-2,4-dihydrophenazin-1-one

C14H14N2O — CID 12676417

IUPAC3,3-dimethyl-2,4-dihydrophenazin-1-one
SMILESCC1(C)CC(=O)c2nc3ccccc3nc2C1
InChIInChI=1S/C14H14N2O/c1-14(2)7-11-13(12(17)8-14)16-10-6-4-3-5-9(10)15-11/h3-6H,7-8H2,1-2H3
InChIKeyOSRZFTJBGCQVMS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.78
Rot. Bonds

About 3,3-dimethyl-2,4-dihydrophenazin-1-one

3,3-dimethyl-2,4-dihydrophenazin-1-one (PubChem CID 12676417) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydrophenazin-1-one.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydrophenazin-1-one
PubChem CID12676417
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3,3-dimethyl-2,4-dihydrophenazin-1-one
SMILESCC1(C)CC(=O)c2nc3ccccc3nc2C1
InChIInChI=1S/C14H14N2O/c1-14(2)7-11-13(12(17)8-14)16-10-6-4-3-5-9(10)15-11/h3-6H,7-8H2,1-2H3
InChIKeyOSRZFTJBGCQVMS-UHFFFAOYSA-N
XLogP2.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2,4-dihydrophenazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydrophenazin-1-one?
The IUPAC name of 3,3-dimethyl-2,4-dihydrophenazin-1-one (CID 12676417) is 3,3-dimethyl-2,4-dihydrophenazin-1-one.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydrophenazin-1-one?
The canonical SMILES for 3,3-dimethyl-2,4-dihydrophenazin-1-one is CC1(C)CC(=O)c2nc3ccccc3nc2C1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydrophenazin-1-one?
The InChIKey is OSRZFTJBGCQVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-14(2)7-11-13(12(17)8-14)16-10-6-4-3-5-9(10)15-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydrophenazin-1-one?
3,3-dimethyl-2,4-dihydrophenazin-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydrophenazin-1-one is sourced from PubChem (CID 12676417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).