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

C12H15N3O3 — CID 159755402

IUPAC5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)CC1CCC2CC1
InChIInChI=1S/C12H15N3O3/c13-10(17)8-9(16)12(18)15-5-6-1-3-7(4-2-6)11(15)14-8/h6-7,16H,1-5H2,(H2,13,17)
InChIKeyNEERKWHCAZFVQN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.34
Rot. Bonds1

About 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 159755402) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID159755402
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)CC1CCC2CC1
InChIInChI=1S/C12H15N3O3/c13-10(17)8-9(16)12(18)15-5-6-1-3-7(4-2-6)11(15)14-8/h6-7,16H,1-5H2,(H2,13,17)
InChIKeyNEERKWHCAZFVQN-UHFFFAOYSA-N
XLogP0.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 159755402) is 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is NC(=O)c1nc2n(c(=O)c1O)CC1CCC2CC1.
What is the InChIKey of 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is NEERKWHCAZFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-10(17)8-9(16)12(18)15-5-6-1-3-7(4-2-6)11(15)14-8/h6-7,16H,1-5H2,(H2,13,17).
What are the key properties of 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 159755402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).