2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one

C11H13N3O2 — CID 143468961

IUPAC2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one
SMILESCOC1Nc2cccc3c2N1CC(=O)N3C
InChIInChI=1S/C11H13N3O2/c1-13-8-5-3-4-7-10(8)14(6-9(13)15)11(12-7)16-2/h3-5,11-12H,6H2,1-2H3
InChIKeyCMOXNRZYQVINGG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.82
Rot. Bonds1

About 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one

2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one (PubChem CID 143468961) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one.

Molecular Properties

Compound Name2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one
PubChem CID143468961
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one
SMILESCOC1Nc2cccc3c2N1CC(=O)N3C
InChIInChI=1S/C11H13N3O2/c1-13-8-5-3-4-7-10(8)14(6-9(13)15)11(12-7)16-2/h3-5,11-12H,6H2,1-2H3
InChIKeyCMOXNRZYQVINGG-UHFFFAOYSA-N
XLogP0.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-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

methyl 4-methyl-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate
CID 177208120
CID 169230568
CID 169230568
ethyl 4-methyl-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate
CID 22735535
4-methyl-12-(1-sulfanylethyl)-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 177208176
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
(10R,15S)-12-[3-(4-fluorophenoxy)propyl]-4,10-dimethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 169306316
6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84621079
4-fluoro-1-methyl-3H-quinoxalin-2-one
CID 156700555
N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
CID 134787098
12-[3-(3-methoxythiophen-2-yl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 177208132
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
10-ethyl-12-[4-(4-fluorophenyl)butyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 170354023

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one?
The IUPAC name of 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one (CID 143468961) is 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one.
What is the SMILES notation for 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one?
The canonical SMILES for 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one is COC1Nc2cccc3c2N1CC(=O)N3C.
What is the InChIKey of 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one?
The InChIKey is CMOXNRZYQVINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-8-5-3-4-7-10(8)14(6-9(13)15)11(12-7)16-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one?
2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one has a molecular weight of 219.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-10-one is sourced from PubChem (CID 143468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).