4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene

C14H10N4O2 — CID 142429861

IUPAC4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
SMILESO=[N+]([O-])c1ccc2c(c1)-c1nc3ncccn3c1CC2
InChIInChI=1S/C14H10N4O2/c19-18(20)10-4-2-9-3-5-12-13(11(9)8-10)16-14-15-6-1-7-17(12)14/h1-2,4,6-8H,3,5H2
InChIKeyIPYUHYFTCITHGS-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.40
Rot. Bonds1

About 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene

4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene (PubChem CID 142429861) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene.

Molecular Properties

Compound Name4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
PubChem CID142429861
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
SMILESO=[N+]([O-])c1ccc2c(c1)-c1nc3ncccn3c1CC2
InChIInChI=1S/C14H10N4O2/c19-18(20)10-4-2-9-3-5-12-13(11(9)8-10)16-14-15-6-1-7-17(12)14/h1-2,4,6-8H,3,5H2
InChIKeyIPYUHYFTCITHGS-UHFFFAOYSA-N
XLogP2.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The IUPAC name of 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene (CID 142429861) is 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene.
What is the SMILES notation for 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The canonical SMILES for 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene is O=[N+]([O-])c1ccc2c(c1)-c1nc3ncccn3c1CC2.
What is the InChIKey of 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The InChIKey is IPYUHYFTCITHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)10-4-2-9-3-5-12-13(11(9)8-10)16-14-15-6-1-7-17(12)14/h1-2,4,6-8H,3,5H2.
What are the key properties of 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene has a molecular weight of 266.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene is sourced from PubChem (CID 142429861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).