1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene

C11H10N2 — CID 69345662

IUPAC1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
SMILESC1=CC2=C3C(=NC=CN3CC=C2)C1
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-4,6,8H,5,7H2
InChIKeyGSHCOJOSNPNLLX-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.00
Rot. Bonds

About 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene

1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene (PubChem CID 69345662) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene.

Molecular Properties

Compound Name1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
PubChem CID69345662
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
SMILESC1=CC2=C3C(=NC=CN3CC=C2)C1
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-4,6,8H,5,7H2
InChIKeyGSHCOJOSNPNLLX-UHFFFAOYSA-N
XLogP2.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The IUPAC name of 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene (CID 69345662) is 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene.
What is the SMILES notation for 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The canonical SMILES for 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene is C1=CC2=C3C(=NC=CN3CC=C2)C1.
What is the InChIKey of 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
The InChIKey is GSHCOJOSNPNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-4,6,8H,5,7H2.
What are the key properties of 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene?
1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene has a molecular weight of 170.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene is sourced from PubChem (CID 69345662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).