10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C10H9Cl2N3 — CID 82530798

IUPAC10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESClc1cc(Cl)c2nc3c(n2c1)CNCC3
InChIInChI=1S/C10H9Cl2N3/c11-6-3-7(12)10-14-8-1-2-13-4-9(8)15(10)5-6/h3,5,13H,1-2,4H2
InChIKeyXLGGWAOASFOWHQ-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.29
Rot. Bonds

About 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 82530798) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID82530798
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESClc1cc(Cl)c2nc3c(n2c1)CNCC3
InChIInChI=1S/C10H9Cl2N3/c11-6-3-7(12)10-14-8-1-2-13-4-9(8)15(10)5-6/h3,5,13H,1-2,4H2
InChIKeyXLGGWAOASFOWHQ-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

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Frequently Asked Questions

What is the IUPAC name of 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 82530798) is 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is Clc1cc(Cl)c2nc3c(n2c1)CNCC3.
What is the InChIKey of 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is XLGGWAOASFOWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-6-3-7(12)10-14-8-1-2-13-4-9(8)15(10)5-6/h3,5,13H,1-2,4H2.
What are the key properties of 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-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 10,12-dichloro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 82530798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).