2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene

C15H12N4 — CID 15507426

IUPAC2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
SMILESc1cc(C2=NN=C(c3ccncc3)C3CC23)ccn1
InChIInChI=1S/C15H12N4/c1-5-16-6-2-10(1)14-12-9-13(12)15(19-18-14)11-3-7-17-8-4-11/h1-8,12-13H,9H2
InChIKeyQVRZFCYQONALIR-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.32
Rot. Bonds2

About 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene

2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 15507426) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
PubChem CID15507426
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
SMILESc1cc(C2=NN=C(c3ccncc3)C3CC23)ccn1
InChIInChI=1S/C15H12N4/c1-5-16-6-2-10(1)14-12-9-13(12)15(19-18-14)11-3-7-17-8-4-11/h1-8,12-13H,9H2
InChIKeyQVRZFCYQONALIR-UHFFFAOYSA-N
XLogP2.32
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene (CID 15507426) is 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene is c1cc(C2=NN=C(c3ccncc3)C3CC23)ccn1.
What is the InChIKey of 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is QVRZFCYQONALIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-5-16-6-2-10(1)14-12-9-13(12)15(19-18-14)11-3-7-17-8-4-11/h1-8,12-13H,9H2.
What are the key properties of 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 248.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-4-yl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 15507426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).