11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C19H24N6O2 — CID 123132717

About 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 123132717) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 123132717
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=C(N1CC2CC(C1)c1cccc(=O)n1C2)C1(n2cnnn2)CCCCC1
• InChI: InChI=1S/C19H24N6O2/c26-17-6-4-5-16-15-9-14(11-24(16)17)10-23(12-15)18(27)19(7-2-1-3-8-19)25-13-20-21-22-25/h4-6,13-15H,1-3,7-12H2
• InChIKey: ISCIDHBHTCRDOQ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 85.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 123132717) is 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=C(N1CC2CC(C1)c1cccc(=O)n1C2)C1(n2cnnn2)CCCCC1.

What is the InChIKey of 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is ISCIDHBHTCRDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17-6-4-5-16-15-9-14(11-24(16)17)10-23(12-15)18(27)19(7-2-1-3-8-19)25-13-20-21-22-25/h4-6,13-15H,1-3,7-12H2.

What are the key properties of 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 368.44 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 123132717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).