9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one

C15H9N3O — CID 136901805

IUPAC9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
SMILESO=c1c2cnccc2nc2[nH]c3cccccc3c12
InChIInChI=1S/C15H9N3O/c19-14-10-8-16-7-6-12(10)18-15-13(14)9-4-2-1-3-5-11(9)17-15/h1-8H,(H,17,18,19)
InChIKeyRNFPXRYTAGRGSZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.62
Rot. Bonds

About 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one

9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one (PubChem CID 136901805) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one.

Molecular Properties

Compound Name9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
PubChem CID136901805
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
SMILESO=c1c2cnccc2nc2[nH]c3cccccc3c12
InChIInChI=1S/C15H9N3O/c19-14-10-8-16-7-6-12(10)18-15-13(14)9-4-2-1-3-5-11(9)17-15/h1-8H,(H,17,18,19)
InChIKeyRNFPXRYTAGRGSZ-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one with MolForge

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Related Compounds

11-methyl-6H-indolo[2,3-b][1,6]naphthyridine
CID 10776002
2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 177447958
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
ethane;5H-pyrido[4,3-b]indole
CID 176987523
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
CID 118934591
11-phenyl-6H-indolo[2,3-b][1,5]naphthyridine
CID 10541908
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
10H-acridin-9-one
CID 22753806
benzo[c][1,6]naphthyridin-6-amine
CID 90682325

Frequently Asked Questions

What is the IUPAC name of 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one?
The IUPAC name of 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one (CID 136901805) is 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one.
What is the SMILES notation for 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one?
The canonical SMILES for 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one is O=c1c2cnccc2nc2[nH]c3cccccc3c12.
What is the InChIKey of 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one?
The InChIKey is RNFPXRYTAGRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c19-14-10-8-16-7-6-12(10)18-15-13(14)9-4-2-1-3-5-11(9)17-15/h1-8H,(H,17,18,19).
What are the key properties of 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one?
9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one has a molecular weight of 247.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one is sourced from PubChem (CID 136901805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).