3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione

C11H13N3O2 — CID 154465076

IUPAC3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione
SMILESO=C1NC(=O)C2CN3CCCC=CC3=C2N1
InChIInChI=1S/C11H13N3O2/c15-10-7-6-14-5-3-1-2-4-8(14)9(7)12-11(16)13-10/h2,4,7H,1,3,5-6H2,(H2,12,13,15,16)
InChIKeyABWZRAHDTLHUII-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.32
Rot. Bonds

About 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione

3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione (PubChem CID 154465076) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione.

Molecular Properties

Compound Name3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione
PubChem CID154465076
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione
SMILESO=C1NC(=O)C2CN3CCCC=CC3=C2N1
InChIInChI=1S/C11H13N3O2/c15-10-7-6-14-5-3-1-2-4-8(14)9(7)12-11(16)13-10/h2,4,7H,1,3,5-6H2,(H2,12,13,15,16)
InChIKeyABWZRAHDTLHUII-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4a,5-dihydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415549
4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415558
1,4a,5,7-Tetrahydropyrimido[4,5-a]pyrrolizine-2,4-dione
CID 141415579
2,4-Diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione
CID 168966718
ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
CID 176935128
2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
CID 177039206
1-(3-Methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione;rhenium
CID 177057057
1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
CID 176935129
1-(3-Methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione
CID 177057058

Frequently Asked Questions

What is the IUPAC name of 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione?
The IUPAC name of 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione (CID 154465076) is 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione.
What is the SMILES notation for 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione?
The canonical SMILES for 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione is O=C1NC(=O)C2CN3CCCC=CC3=C2N1.
What is the InChIKey of 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione?
The InChIKey is ABWZRAHDTLHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-7-6-14-5-3-1-2-4-8(14)9(7)12-11(16)13-10/h2,4,7H,1,3,5-6H2,(H2,12,13,15,16).
What are the key properties of 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione?
3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione has a molecular weight of 219.24 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9-triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione is sourced from PubChem (CID 154465076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).