2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one

C14H9N3O — CID 71588287

IUPAC2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one
SMILESO=C1C2=Nc3ncccc3CN2c2ccccc21
InChIInChI=1S/C14H9N3O/c18-12-10-5-1-2-6-11(10)17-8-9-4-3-7-15-13(9)16-14(12)17/h1-7H,8H2
InChIKeyFNFMXBXBQQITHZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.33
Rot. Bonds

About 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one

2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one (PubChem CID 71588287) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one.

Molecular Properties

Compound Name2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one
PubChem CID71588287
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one
SMILESO=C1C2=Nc3ncccc3CN2c2ccccc21
InChIInChI=1S/C14H9N3O/c18-12-10-5-1-2-6-11(10)17-8-9-4-3-7-15-13(9)16-14(12)17/h1-7H,8H2
InChIKeyFNFMXBXBQQITHZ-UHFFFAOYSA-N
XLogP2.33
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one?
The IUPAC name of 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one (CID 71588287) is 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one.
What is the SMILES notation for 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one?
The canonical SMILES for 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one is O=C1C2=Nc3ncccc3CN2c2ccccc21.
What is the InChIKey of 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one?
The InChIKey is FNFMXBXBQQITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-12-10-5-1-2-6-11(10)17-8-9-4-3-7-15-13(9)16-14(12)17/h1-7H,8H2.
What are the key properties of 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one?
2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one has a molecular weight of 235.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-17-one is sourced from PubChem (CID 71588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).