6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C12H15N3O2 — CID 123458120

IUPAC6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C12H15N3O2/c13-11(17)9-5-10(16)15-6-7-1-3-8(4-2-7)12(15)14-9/h5,7-8H,1-4,6H2,(H2,13,17)
InChIKeyVUKHSOCLIFIQGS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds1

About 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 123458120) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound Name6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID123458120
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C12H15N3O2/c13-11(17)9-5-10(16)15-6-7-1-3-8(4-2-7)12(15)14-9/h5,7-8H,1-4,6H2,(H2,13,17)
InChIKeyVUKHSOCLIFIQGS-UHFFFAOYSA-N
XLogP0.63
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide
CID 90708726
3,7-Diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 91418917
N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 123239591
6-Oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylic acid
CID 123548398
5-Hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 159755402

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 123458120) is 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is NC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2.
What is the InChIKey of 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is VUKHSOCLIFIQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-11(17)9-5-10(16)15-6-7-1-3-8(4-2-7)12(15)14-9/h5,7-8H,1-4,6H2,(H2,13,17).
What are the key properties of 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 123458120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).