9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide

C11H10N4O2 — CID 173208181

IUPAC9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide
SMILESNC(=O)N1CC2=CNNC(=O)c3cccc1c32
InChIInChI=1S/C11H10N4O2/c12-11(17)15-5-6-4-13-14-10(16)7-2-1-3-8(15)9(6)7/h1-4,13H,5H2,(H2,12,17)(H,14,16)
InChIKeyWCBMRXPLUDXXBH-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.17
Rot. Bonds

About 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide

9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide (PubChem CID 173208181) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide
PubChem CID173208181
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide
SMILESNC(=O)N1CC2=CNNC(=O)c3cccc1c32
InChIInChI=1S/C11H10N4O2/c12-11(17)15-5-6-4-13-14-10(16)7-2-1-3-8(15)9(6)7/h1-4,13H,5H2,(H2,12,17)(H,14,16)
InChIKeyWCBMRXPLUDXXBH-UHFFFAOYSA-N
XLogP0.17
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide?
The IUPAC name of 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide (CID 173208181) is 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide.
What is the SMILES notation for 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide?
The canonical SMILES for 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide is NC(=O)N1CC2=CNNC(=O)c3cccc1c32.
What is the InChIKey of 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide?
The InChIKey is WCBMRXPLUDXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-11(17)15-5-6-4-13-14-10(16)7-2-1-3-8(15)9(6)7/h1-4,13H,5H2,(H2,12,17)(H,14,16).
What are the key properties of 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide?
9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraene-3-carboxamide is sourced from PubChem (CID 173208181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).