5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione

C13H17N3O2 — CID 10824393

IUPAC5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
SMILESCC(C)N1Cc2c(nc3n(c2=O)CCCC3)C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)16-7-9-11(13(16)18)14-10-5-3-4-6-15(10)12(9)17/h8H,3-7H2,1-2H3
InChIKeyOWBIJAWIUHTJDO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.94
Rot. Bonds1

About 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione

5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione (PubChem CID 10824393) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione.

Molecular Properties

Compound Name5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
PubChem CID10824393
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
SMILESCC(C)N1Cc2c(nc3n(c2=O)CCCC3)C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)16-7-9-11(13(16)18)14-10-5-3-4-6-15(10)12(9)17/h8H,3-7H2,1-2H3
InChIKeyOWBIJAWIUHTJDO-UHFFFAOYSA-N
XLogP0.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione 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

6-[(1-acetyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72887851
2-Isopropylidene-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one
CID 601153
2,3-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 13183101
2,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 20452142
2,3-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane;iodomethane
CID 144219107
2,3-Dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72868898
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72884782
6-[(1-isopropyl-4-piperidinyl)acetyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72924319
6-[(1-isopropyl-4-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72926970
2,3-dimethyl-6-[1-(1-methylpiperidin-4-yl)-L-prolyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 90648897
6-[(3R)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198253
6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198254

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione?
The IUPAC name of 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione (CID 10824393) is 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione.
What is the SMILES notation for 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione?
The canonical SMILES for 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione is CC(C)N1Cc2c(nc3n(c2=O)CCCC3)C1=O.
What is the InChIKey of 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione?
The InChIKey is OWBIJAWIUHTJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)16-7-9-11(13(16)18)14-10-5-3-4-6-15(10)12(9)17/h8H,3-7H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione?
5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione is sourced from PubChem (CID 10824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).