N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

C19H25N7O4 — CID 163180267

About N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (PubChem CID 163180267) has the molecular formula C19H25N7O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.

Molecular Properties

• Compound Name: N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
• PubChem CID: 163180267
• Molecular Formula: C19H25N7O4
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.20
• IUPAC Name: N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
• SMILES: O=C(N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2)C1(n2cnnn2)CCCCC1
• InChI: InChI=1S/C19H25N7O4/c27-17-16(26(29)30)5-4-15-14-8-13(10-24(15)17)9-23(11-14)18(28)19(6-2-1-3-7-19)25-12-20-21-22-25/h4-5,12-14,26,29H,1-3,6-11H2
• InChIKey: YVMATDVEIOELHF-UHFFFAOYSA-N
• XLogP: -0.46
• TPSA: 133.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	-0.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The IUPAC name of N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (CID 163180267) is N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.

What is the SMILES notation for N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The canonical SMILES for N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is O=C(N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2)C1(n2cnnn2)CCCCC1.

What is the InChIKey of N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The InChIKey is YVMATDVEIOELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O4/c27-17-16(26(29)30)5-4-15-14-8-13(10-24(15)17)9-23(11-14)18(28)19(6-2-1-3-7-19)25-12-20-21-22-25/h4-5,12-14,26,29H,1-3,6-11H2.

What are the key properties of N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide has a molecular weight of 415.45 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-6-oxo-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is sourced from PubChem (CID 163180267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).