3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C10H7N3 — CID 118516950

IUPAC3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cnc2c(c1)Cc1cncnc1-2
InChIInChI=1S/C10H7N3/c1-2-7-4-8-5-11-6-13-10(8)9(7)12-3-1/h1-3,5-6H,4H2
InChIKeyFEDQSUNZWXQXHR-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.44
Rot. Bonds

About 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 118516950) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID118516950
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cnc2c(c1)Cc1cncnc1-2
InChIInChI=1S/C10H7N3/c1-2-7-4-8-5-11-6-13-10(8)9(7)12-3-1/h1-3,5-6H,4H2
InChIKeyFEDQSUNZWXQXHR-UHFFFAOYSA-N
XLogP1.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 118516950) is 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cnc2c(c1)Cc1cncnc1-2.
What is the InChIKey of 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is FEDQSUNZWXQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-7-4-8-5-11-6-13-10(8)9(7)12-3-1/h1-3,5-6H,4H2.
What are the key properties of 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 169.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 118516950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).