1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one

C11H8N4O — CID 68562714

IUPAC1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one
SMILESO=C1c2n[nH]nc2C2Cc3ccccc3N12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-14-13-10)8-5-6-3-1-2-4-7(6)15(8)11/h1-4,8H,5H2,(H,12,13,14)
InChIKeyJQONVZJCDIRHKX-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.06
Rot. Bonds

About 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one

1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one (PubChem CID 68562714) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one.

Molecular Properties

Compound Name1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one
PubChem CID68562714
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one
SMILESO=C1c2n[nH]nc2C2Cc3ccccc3N12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-14-13-10)8-5-6-3-1-2-4-7(6)15(8)11/h1-4,8H,5H2,(H,12,13,14)
InChIKeyJQONVZJCDIRHKX-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one?
The IUPAC name of 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one (CID 68562714) is 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one.
What is the SMILES notation for 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one?
The canonical SMILES for 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one is O=C1c2n[nH]nc2C2Cc3ccccc3N12.
What is the InChIKey of 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one?
The InChIKey is JQONVZJCDIRHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10-9(12-14-13-10)8-5-6-3-1-2-4-7(6)15(8)11/h1-4,8H,5H2,(H,12,13,14).
What are the key properties of 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one?
1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one has a molecular weight of 212.21 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one is sourced from PubChem (CID 68562714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).