3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine

C16H10N8 — CID 68526226

IUPAC3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
SMILESc1cnnc(-c2ccnnc2-c2ccnnc2-c2cccnn2)c1
InChIInChI=1S/C16H10N8/c1-3-13(21-17-7-1)11-5-9-19-23-15(11)12-6-10-20-24-16(12)14-4-2-8-18-22-14/h1-10H
InChIKeyAVTJUJADKWEQNI-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.85
Rot. Bonds3

About 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine

3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine (PubChem CID 68526226) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine.

Molecular Properties

Compound Name3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
PubChem CID68526226
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
SMILESc1cnnc(-c2ccnnc2-c2ccnnc2-c2cccnn2)c1
InChIInChI=1S/C16H10N8/c1-3-13(21-17-7-1)11-5-9-19-23-15(11)12-6-10-20-24-16(12)14-4-2-8-18-22-14/h1-10H
InChIKeyAVTJUJADKWEQNI-UHFFFAOYSA-N
XLogP1.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine?
The IUPAC name of 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine (CID 68526226) is 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine.
What is the SMILES notation for 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine?
The canonical SMILES for 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine is c1cnnc(-c2ccnnc2-c2ccnnc2-c2cccnn2)c1.
What is the InChIKey of 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine?
The InChIKey is AVTJUJADKWEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c1-3-13(21-17-7-1)11-5-9-19-23-15(11)12-6-10-20-24-16(12)14-4-2-8-18-22-14/h1-10H.
What are the key properties of 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine?
3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine has a molecular weight of 314.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine is sourced from PubChem (CID 68526226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).