5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile

C13H7N5 — CID 162717722

IUPAC5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile
SMILESN#Cc1nnc(-c2ccccc2)c2nccnc12
InChIInChI=1S/C13H7N5/c14-8-10-12-13(16-7-6-15-12)11(18-17-10)9-4-2-1-3-5-9/h1-7H
InChIKeyRSUARBWQFVIAJE-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.96
Rot. Bonds1

About 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile

5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile (PubChem CID 162717722) has the molecular formula C13H7N5 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile
PubChem CID162717722
Molecular FormulaC13H7N5
Molecular Weight233.23 g/mol
Exact Mass233.07
IUPAC Name5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile
SMILESN#Cc1nnc(-c2ccccc2)c2nccnc12
InChIInChI=1S/C13H7N5/c14-8-10-12-13(16-7-6-15-12)11(18-17-10)9-4-2-1-3-5-9/h1-7H
InChIKeyRSUARBWQFVIAJE-UHFFFAOYSA-N
XLogP1.96
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile?
The IUPAC name of 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile (CID 162717722) is 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile.
What is the SMILES notation for 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile?
The canonical SMILES for 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile is N#Cc1nnc(-c2ccccc2)c2nccnc12.
What is the InChIKey of 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile?
The InChIKey is RSUARBWQFVIAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5/c14-8-10-12-13(16-7-6-15-12)11(18-17-10)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile?
5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile has a molecular weight of 233.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile is sourced from PubChem (CID 162717722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).