2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one

C12H15N3O — CID 82393417

IUPAC2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one
SMILESCC1(C)C(=O)Nc2cccc3c2N1CCN3
InChIInChI=1S/C12H15N3O/c1-12(2)11(16)14-9-5-3-4-8-10(9)15(12)7-6-13-8/h3-5,13H,6-7H2,1-2H3,(H,14,16)
InChIKeyFGMMUSBTCYRWDA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds

About 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one

2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one (PubChem CID 82393417) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one
PubChem CID82393417
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one
SMILESCC1(C)C(=O)Nc2cccc3c2N1CCN3
InChIInChI=1S/C12H15N3O/c1-12(2)11(16)14-9-5-3-4-8-10(9)15(12)7-6-13-8/h3-5,13H,6-7H2,1-2H3,(H,14,16)
InChIKeyFGMMUSBTCYRWDA-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one 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

4-(2-amino-6-methylphenyl)-3,3-dimethylpiperazin-2-one
CID 113333770
5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095429
4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63607835
methyl 3-amino-2-(2,2-dimethyl-3-oxopiperazin-1-yl)benzoate
CID 115935018
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 68708180
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946536
4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 114056090
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615006
4-(3-amino-2-nitrophenyl)-3,3-dimethylpiperazin-2-one
CID 80834606
4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one?
The IUPAC name of 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one (CID 82393417) is 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one.
What is the SMILES notation for 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one?
The canonical SMILES for 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one is CC1(C)C(=O)Nc2cccc3c2N1CCN3.
What is the InChIKey of 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one?
The InChIKey is FGMMUSBTCYRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2)11(16)14-9-5-3-4-8-10(9)15(12)7-6-13-8/h3-5,13H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one?
2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one is sourced from PubChem (CID 82393417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).