10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione

C15H17N3O2 — CID 20647023

IUPAC10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione
SMILESCC1C2=C(CC3C(=O)N(C)C(=O)N13)C1C=CC=CC1N2
InChIInChI=1S/C15H17N3O2/c1-8-13-10(9-5-3-4-6-11(9)16-13)7-12-14(19)17(2)15(20)18(8)12/h3-6,8-9,11-12,16H,7H2,1-2H3
InChIKeyOSXWNNPSXWAZSD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds

About 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione

10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione (PubChem CID 20647023) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione.

Molecular Properties

Compound Name10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione
PubChem CID20647023
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione
SMILESCC1C2=C(CC3C(=O)N(C)C(=O)N13)C1C=CC=CC1N2
InChIInChI=1S/C15H17N3O2/c1-8-13-10(9-5-3-4-6-11(9)16-13)7-12-14(19)17(2)15(20)18(8)12/h3-6,8-9,11-12,16H,7H2,1-2H3
InChIKeyOSXWNNPSXWAZSD-UHFFFAOYSA-N
XLogP1.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione with MolForge

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Related Compounds

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CID 78098210
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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione?
The IUPAC name of 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione (CID 20647023) is 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione.
What is the SMILES notation for 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione?
The canonical SMILES for 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione is CC1C2=C(CC3C(=O)N(C)C(=O)N13)C1C=CC=CC1N2.
What is the InChIKey of 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione?
The InChIKey is OSXWNNPSXWAZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-13-10(9-5-3-4-6-11(9)16-13)7-12-14(19)17(2)15(20)18(8)12/h3-6,8-9,11-12,16H,7H2,1-2H3.
What are the key properties of 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione?
10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione has a molecular weight of 271.32 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),3,5-triene-12,14-dione is sourced from PubChem (CID 20647023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).