12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one

C15H9N3O — CID 10944751

IUPAC12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
SMILESNC1=CC(=O)c2nc3ccccc3c3ccnc1c23
InChIInChI=1S/C15H9N3O/c16-10-7-12(19)15-13-9(5-6-17-14(10)13)8-3-1-2-4-11(8)18-15/h1-7H,16H2
InChIKeyPIBOVIRTUIQUCT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.28
Rot. Bonds

About 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one

12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one (PubChem CID 10944751) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one.

Molecular Properties

Compound Name12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
PubChem CID10944751
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
SMILESNC1=CC(=O)c2nc3ccccc3c3ccnc1c23
InChIInChI=1S/C15H9N3O/c16-10-7-12(19)15-13-9(5-6-17-14(10)13)8-3-1-2-4-11(8)18-15/h1-7H,16H2
InChIKeyPIBOVIRTUIQUCT-UHFFFAOYSA-N
XLogP2.28
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one?
The IUPAC name of 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one (CID 10944751) is 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one.
What is the SMILES notation for 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one?
The canonical SMILES for 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one is NC1=CC(=O)c2nc3ccccc3c3ccnc1c23.
What is the InChIKey of 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one?
The InChIKey is PIBOVIRTUIQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-7-12(19)15-13-9(5-6-17-14(10)13)8-3-1-2-4-11(8)18-15/h1-7H,16H2.
What are the key properties of 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one?
12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one has a molecular weight of 247.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one is sourced from PubChem (CID 10944751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).