1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene

C11H10N2 — CID 18921534

IUPAC1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene
SMILESC1=CC2=CC=CN3CC=NC(=C1)C23
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-7,11H,8H2
InChIKeyURGTXAONFKRCMU-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.65
Rot. Bonds

About 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene

1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene (PubChem CID 18921534) 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-3,5,7,9,11-pentaene.

Molecular Properties

Compound Name1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene
PubChem CID18921534
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene
SMILESC1=CC2=CC=CN3CC=NC(=C1)C23
InChIInChI=1S/C11H10N2/c1-3-9-4-2-7-13-8-6-12-10(5-1)11(9)13/h1-7,11H,8H2
InChIKeyURGTXAONFKRCMU-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-3,5,7,9,11-pentaene?
The IUPAC name of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene (CID 18921534) is 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene.
What is the SMILES notation for 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene?
The canonical SMILES for 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene is C1=CC2=CC=CN3CC=NC(=C1)C23.
What is the InChIKey of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene?
The InChIKey is URGTXAONFKRCMU-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/h1-7,11H,8H2.
What are the key properties of 1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene?
1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene has a molecular weight of 170.22 g/mol, XLogP of 1.65, 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-3,5,7,9,11-pentaene is sourced from PubChem (CID 18921534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).