8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one

C15H18N4O — CID 110186880

IUPAC8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
SMILESCC(CN(C)C)n1c(=O)c2cccn2c2ncccc21
InChIInChI=1S/C15H18N4O/c1-11(10-17(2)3)19-12-6-4-8-16-14(12)18-9-5-7-13(18)15(19)20/h4-9,11H,10H2,1-3H3
InChIKeyDFNXCYXBLCBAEW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.77
Rot. Bonds3

About 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one

8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one (PubChem CID 110186880) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one.

Molecular Properties

Compound Name8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
PubChem CID110186880
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
SMILESCC(CN(C)C)n1c(=O)c2cccn2c2ncccc21
InChIInChI=1S/C15H18N4O/c1-11(10-17(2)3)19-12-6-4-8-16-14(12)18-9-5-7-13(18)15(19)20/h4-9,11H,10H2,1-3H3
InChIKeyDFNXCYXBLCBAEW-UHFFFAOYSA-N
XLogP1.77
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one with MolForge

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Related Compounds

8-(2-phenylethyl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110186700
7-propan-2-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 177470797
N-[(2R)-butan-2-yl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 92687266
8-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one chloride
CID 110186885
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 22553474
8-(2-methylpropyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110167992
N-(2,3-dimethylcyclohexyl)-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 126457793
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methylsulfanyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172673669
3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92687284
3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 82143832
3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one
CID 21329330

Frequently Asked Questions

What is the IUPAC name of 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The IUPAC name of 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one (CID 110186880) is 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one.
What is the SMILES notation for 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The canonical SMILES for 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one is CC(CN(C)C)n1c(=O)c2cccn2c2ncccc21.
What is the InChIKey of 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The InChIKey is DFNXCYXBLCBAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(10-17(2)3)19-12-6-4-8-16-14(12)18-9-5-7-13(18)15(19)20/h4-9,11H,10H2,1-3H3.
What are the key properties of 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one has a molecular weight of 270.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(dimethylamino)propan-2-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one is sourced from PubChem (CID 110186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).