10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene

C10H9Cl2N3 — CID 155104059

IUPAC10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
SMILESClc1ccc2c3c(nn2c1Cl)CCNC3
InChIInChI=1S/C10H9Cl2N3/c11-7-1-2-9-6-5-13-4-3-8(6)14-15(9)10(7)12/h1-2,13H,3-5H2
InChIKeyFOYKOASWAJUKOX-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.29
Rot. Bonds

About 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene

10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene (PubChem CID 155104059) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene.

Molecular Properties

Compound Name10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
PubChem CID155104059
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
SMILESClc1ccc2c3c(nn2c1Cl)CCNC3
InChIInChI=1S/C10H9Cl2N3/c11-7-1-2-9-6-5-13-4-3-8(6)14-15(9)10(7)12/h1-2,13H,3-5H2
InChIKeyFOYKOASWAJUKOX-UHFFFAOYSA-N
XLogP2.29
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The IUPAC name of 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene (CID 155104059) is 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene.
What is the SMILES notation for 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The canonical SMILES for 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene is Clc1ccc2c3c(nn2c1Cl)CCNC3.
What is the InChIKey of 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The InChIKey is FOYKOASWAJUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-7-1-2-9-6-5-13-4-3-8(6)14-15(9)10(7)12/h1-2,13H,3-5H2.
What are the key properties of 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene has a molecular weight of 242.11 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dichloro-4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene is sourced from PubChem (CID 155104059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).