6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

C13H7N5O2 — CID 10967410

IUPAC6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESO=[N+]([O-])c1ccc2nc3nc4ccccn4c3nc2c1
InChIInChI=1S/C13H7N5O2/c19-18(20)8-4-5-9-10(7-8)15-13-12(14-9)16-11-3-1-2-6-17(11)13/h1-7H
InChIKeyDTLHXNRHZUDNHS-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.34
Rot. Bonds1

About 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (PubChem CID 10967410) has the molecular formula C13H7N5O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.

Molecular Properties

Compound Name6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
PubChem CID10967410
Molecular FormulaC13H7N5O2
Molecular Weight265.23 g/mol
Exact Mass265.06
IUPAC Name6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESO=[N+]([O-])c1ccc2nc3nc4ccccn4c3nc2c1
InChIInChI=1S/C13H7N5O2/c19-18(20)8-4-5-9-10(7-8)15-13-12(14-9)16-11-3-1-2-6-17(11)13/h1-7H
InChIKeyDTLHXNRHZUDNHS-UHFFFAOYSA-N
XLogP2.34
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene with MolForge

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Related Compounds

5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257799
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2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
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3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
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2-nitrophenanthridine
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3-chloro-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
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6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130
9-(4-nitrophenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 101436702
2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The IUPAC name of 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (CID 10967410) is 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.
What is the SMILES notation for 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The canonical SMILES for 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is O=[N+]([O-])c1ccc2nc3nc4ccccn4c3nc2c1.
What is the InChIKey of 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The InChIKey is DTLHXNRHZUDNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O2/c19-18(20)8-4-5-9-10(7-8)15-13-12(14-9)16-11-3-1-2-6-17(11)13/h1-7H.
What are the key properties of 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene has a molecular weight of 265.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is sourced from PubChem (CID 10967410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).