6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one

C12H6N4O2 — CID 162215053

IUPAC6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one
SMILESO=C1c2nc3c(nc2-c2cccc(O)c21)=NCN=3
InChIInChI=1S/C12H6N4O2/c17-6-3-1-2-5-7(6)10(18)9-8(5)15-11-12(16-9)14-4-13-11/h1-3,17H,4H2
InChIKeyMHTKUXMMCJJXAP-UHFFFAOYSA-N
MW238.21 g/mol
LogP-0.40
Rot. Bonds

About 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one

6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one (PubChem CID 162215053) has the molecular formula C12H6N4O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one.

Molecular Properties

Compound Name6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one
PubChem CID162215053
Molecular FormulaC12H6N4O2
Molecular Weight238.21 g/mol
Exact Mass238.05
IUPAC Name6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one
SMILESO=C1c2nc3c(nc2-c2cccc(O)c21)=NCN=3
InChIInChI=1S/C12H6N4O2/c17-6-3-1-2-5-7(6)10(18)9-8(5)15-11-12(16-9)14-4-13-11/h1-3,17H,4H2
InChIKeyMHTKUXMMCJJXAP-UHFFFAOYSA-N
XLogP-0.40
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one?
The IUPAC name of 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one (CID 162215053) is 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one.
What is the SMILES notation for 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one?
The canonical SMILES for 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one is O=C1c2nc3c(nc2-c2cccc(O)c21)=NCN=3.
What is the InChIKey of 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one?
The InChIKey is MHTKUXMMCJJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O2/c17-6-3-1-2-5-7(6)10(18)9-8(5)15-11-12(16-9)14-4-13-11/h1-3,17H,4H2.
What are the key properties of 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one?
6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one has a molecular weight of 238.21 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,14-heptaen-8-one is sourced from PubChem (CID 162215053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).