7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C12H10N2 — CID 89152837

IUPAC7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESc1ccc(-n2[nH]c3ccccc32)cc1
InChIInChI=1S/C12H10N2/c1-2-6-10(7-3-1)14-12-9-5-4-8-11(12)13-14/h1-9,13H
InChIKeyYLBKDPLURFLNAX-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.96
Rot. Bonds1

About 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 89152837) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID89152837
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESc1ccc(-n2[nH]c3ccccc32)cc1
InChIInChI=1S/C12H10N2/c1-2-6-10(7-3-1)14-12-9-5-4-8-11(12)13-14/h1-9,13H
InChIKeyYLBKDPLURFLNAX-UHFFFAOYSA-N
XLogP2.96
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 89152837) is 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is c1ccc(-n2[nH]c3ccccc32)cc1.
What is the InChIKey of 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is YLBKDPLURFLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-10(7-3-1)14-12-9-5-4-8-11(12)13-14/h1-9,13H.
What are the key properties of 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 182.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 89152837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).