(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione

C15H15N3O2 — CID 10516110

IUPAC(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)[C@]1(C)C=C[C@@]2(C)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-14-8-9-15(2,11-7-5-4-6-10(11)14)18-13(20)16(3)12(19)17(14)18/h4-9H,1-3H3/t14-,15+
InChIKeyWDJGUDWXZBPAST-GASCZTMLSA-N
MW269.30 g/mol
LogP0.76
Rot. Bonds

About (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione

(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione (PubChem CID 10516110) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione.

Molecular Properties

Compound Name(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
PubChem CID10516110
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)[C@]1(C)C=C[C@@]2(C)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-14-8-9-15(2,11-7-5-4-6-10(11)14)18-13(20)16(3)12(19)17(14)18/h4-9H,1-3H3/t14-,15+
InChIKeyWDJGUDWXZBPAST-GASCZTMLSA-N
XLogP0.76
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione with MolForge

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Related Compounds

5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-
CID 429409
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
CID 132572192
5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2-methyl-5,8-diphenyl-
CID 563506
2,4,6-Triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-methyl-1,7-diphenyl-
CID 616067
10,10,13,16,16-Pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 13166425
2-Methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
CID 70960065
(10aR)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one
CID 129065489
(10aS)-2-methyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-one
CID 129065490
2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one
CID 143193655
17-Methyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2802753
(1R,7S)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10378382

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione?
The IUPAC name of (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione (CID 10516110) is (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione.
What is the SMILES notation for (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione?
The canonical SMILES for (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione is Cn1c(=O)n2n(c1=O)[C@]1(C)C=C[C@@]2(C)c2ccccc21.
What is the InChIKey of (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione?
The InChIKey is WDJGUDWXZBPAST-GASCZTMLSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-14-8-9-15(2,11-7-5-4-6-10(11)14)18-13(20)16(3)12(19)17(14)18/h4-9H,1-3H3/t14-,15+.
What are the key properties of (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione?
(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione has a molecular weight of 269.30 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione is sourced from PubChem (CID 10516110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).