1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene

C11H10N2 — CID 57207223

IUPAC1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
SMILESC1=CN2CC=NC3=C2C(=C1)CC=C3
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-2,4-7H,3,8H2
InChIKeyUVHPCPILYOYKPX-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.00
Rot. Bonds

About 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene

1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene (PubChem CID 57207223) 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-3,5(13),6,9,11-pentaene.

Molecular Properties

Compound Name1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
PubChem CID57207223
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
SMILESC1=CN2CC=NC3=C2C(=C1)CC=C3
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-2,4-7H,3,8H2
InChIKeyUVHPCPILYOYKPX-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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Related Compounds

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CID 18921534
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Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene?
The IUPAC name of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene (CID 57207223) is 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene.
What is the SMILES notation for 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene?
The canonical SMILES for 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene is C1=CN2CC=NC3=C2C(=C1)CC=C3.
What is the InChIKey of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene?
The InChIKey is UVHPCPILYOYKPX-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/h1-2,4-7H,3,8H2.
What are the key properties of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene?
1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-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 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene is sourced from PubChem (CID 57207223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).