15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione

C13H16N4O3 — CID 123206637

IUPAC15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione
SMILESCN1C(=O)NC2C3CNC(=O)c4cccn4C3CC21O
InChIInChI=1S/C13H16N4O3/c1-16-12(19)15-10-7-6-14-11(18)8-3-2-4-17(8)9(7)5-13(10,16)20/h2-4,7,9-10,20H,5-6H2,1H3,(H,14,18)(H,15,19)
InChIKeySZVTZDKNCUADJA-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.50
Rot. Bonds

About 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione

15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione (PubChem CID 123206637) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione.

Molecular Properties

Compound Name15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione
PubChem CID123206637
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione
SMILESCN1C(=O)NC2C3CNC(=O)c4cccn4C3CC21O
InChIInChI=1S/C13H16N4O3/c1-16-12(19)15-10-7-6-14-11(18)8-3-2-4-17(8)9(7)5-13(10,16)20/h2-4,7,9-10,20H,5-6H2,1H3,(H,14,18)(H,15,19)
InChIKeySZVTZDKNCUADJA-UHFFFAOYSA-N
XLogP-0.50
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione?
The IUPAC name of 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione (CID 123206637) is 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione.
What is the SMILES notation for 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione?
The canonical SMILES for 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione is CN1C(=O)NC2C3CNC(=O)c4cccn4C3CC21O.
What is the InChIKey of 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione?
The InChIKey is SZVTZDKNCUADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-12(19)15-10-7-6-14-11(18)8-3-2-4-17(8)9(7)5-13(10,16)20/h2-4,7,9-10,20H,5-6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione?
15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione has a molecular weight of 276.30 g/mol, XLogP of -0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-14-methyl-2,8,12,14-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-3,5-diene-7,13-dione is sourced from PubChem (CID 123206637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).