5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene

C11H10N2 — CID 91197563

IUPAC5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene
SMILESC1=CCN2C=C/C=N\C3=C(C3)C2=C1
InChIInChI=1S/C11H10N2/c1-2-6-13-7-3-5-12-10-8-9(10)11(13)4-1/h1-5,7H,6,8H2/b7-3?,12-5-
InChIKeyLWPQZAYKFAFNNT-BTJGYZMISA-N
MW170.22 g/mol
LogP2.00
Rot. Bonds

About 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene

5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene (PubChem CID 91197563) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene.

Molecular Properties

Compound Name5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene
PubChem CID91197563
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene
SMILESC1=CCN2C=C/C=N\C3=C(C3)C2=C1
InChIInChI=1S/C11H10N2/c1-2-6-13-7-3-5-12-10-8-9(10)11(13)4-1/h1-5,7H,6,8H2/b7-3?,12-5-
InChIKeyLWPQZAYKFAFNNT-BTJGYZMISA-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 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene?
The IUPAC name of 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene (CID 91197563) is 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene.
What is the SMILES notation for 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene?
The canonical SMILES for 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene is C1=CCN2C=C/C=N\C3=C(C3)C2=C1.
What is the InChIKey of 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene?
The InChIKey is LWPQZAYKFAFNNT-BTJGYZMISA-N. The full InChI is InChI=1S/C11H10N2/c1-2-6-13-7-3-5-12-10-8-9(10)11(13)4-1/h1-5,7H,6,8H2/b7-3?,12-5-.
What are the key properties of 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene?
5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-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 5,9-diazatricyclo[7.4.0.02,4]trideca-1(13),2(4),5,7,11-pentaene is sourced from PubChem (CID 91197563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).