1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine

C16H16N6 — CID 12782531

IUPAC1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine
SMILESc1ccc(-c2nnc(N3CCNCC3)c3cnncc23)cc1
InChIInChI=1S/C16H16N6/c1-2-4-12(5-3-1)15-13-10-18-19-11-14(13)16(21-20-15)22-8-6-17-7-9-22/h1-5,10-11,17H,6-9H2
InChIKeyLUMZFWSIEIAJBM-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.50
Rot. Bonds2

About 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine

1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine (PubChem CID 12782531) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine.

Molecular Properties

Compound Name1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine
PubChem CID12782531
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine
SMILESc1ccc(-c2nnc(N3CCNCC3)c3cnncc23)cc1
InChIInChI=1S/C16H16N6/c1-2-4-12(5-3-1)15-13-10-18-19-11-14(13)16(21-20-15)22-8-6-17-7-9-22/h1-5,10-11,17H,6-9H2
InChIKeyLUMZFWSIEIAJBM-UHFFFAOYSA-N
XLogP1.50
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine?
The IUPAC name of 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine (CID 12782531) is 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine.
What is the SMILES notation for 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine?
The canonical SMILES for 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine is c1ccc(-c2nnc(N3CCNCC3)c3cnncc23)cc1.
What is the InChIKey of 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine?
The InChIKey is LUMZFWSIEIAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-4-12(5-3-1)15-13-10-18-19-11-14(13)16(21-20-15)22-8-6-17-7-9-22/h1-5,10-11,17H,6-9H2.
What are the key properties of 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine?
1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine has a molecular weight of 292.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-piperazin-1-ylpyridazino[4,5-d]pyridazine is sourced from PubChem (CID 12782531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).