12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide

C24H22N6O6 — CID 5184746

About 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide

12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (PubChem CID 5184746) has the molecular formula C24H22N6O6 and a molecular weight of 490.48 g/mol. Its IUPAC name is 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.

Molecular Properties

• Compound Name: 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
• PubChem CID: 5184746
• Molecular Formula: C24H22N6O6
• Molecular Weight: 490.48 g/mol
• Exact Mass: 490.16
• IUPAC Name: 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
• SMILES: CC12CCC(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)(c3nc4cc([N+](=O)[O-])ccc4nc31)C2(C)C
• InChI: InChI=1S/C24H22N6O6/c1-22(2)23(3)10-11-24(22,19-18(23)25-16-9-8-15(30(35)36)12-17(16)26-19)21(32)28-27-20(31)13-4-6-14(7-5-13)29(33)34/h4-9,12H,10-11H2,1-3H3,(H,27,31)(H,28,32)
• InChIKey: LSPHTMYXSXJOIO-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 170.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.48
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?

The IUPAC name of 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (CID 5184746) is 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.

What is the SMILES notation for 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?

The canonical SMILES for 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is CC12CCC(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)(c3nc4cc([N+](=O)[O-])ccc4nc31)C2(C)C.

What is the InChIKey of 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?

The InChIKey is LSPHTMYXSXJOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O6/c1-22(2)23(3)10-11-24(22,19-18(23)25-16-9-8-15(30(35)36)12-17(16)26-19)21(32)28-27-20(31)13-4-6-14(7-5-13)29(33)34/h4-9,12H,10-11H2,1-3H3,(H,27,31)(H,28,32).

What are the key properties of 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?

12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide has a molecular weight of 490.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 5184746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).