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

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Related Compounds

16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
3,5,6-triphenylpyrazine-2-carbonitrile
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2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
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2,2-bis(3-phenylpyrazin-2-yl)acetonitrile
CID 67731671
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
3-phenylcinnoline-4-carbonitrile
CID 10868127
5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
CID 176898342
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645
(8-phenylpyrido[2,3-d]pyridazin-5-yl)hydrazine
CID 10490033
4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
CID 13077761
4-methyl-7-phenyl-8-sulfanylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 135747002

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).