3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine

C19H19N5 — CID 59867520

IUPAC3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
SMILESc1ccc(-c2nnc(N3CCNCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H19N5/c1-2-4-16(5-3-1)19-17(15-6-8-20-9-7-15)14-18(22-23-19)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2
InChIKeyFLPJMKYUGAMWET-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.62
Rot. Bonds3

About 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine

3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine (PubChem CID 59867520) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
PubChem CID59867520
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
SMILESc1ccc(-c2nnc(N3CCNCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H19N5/c1-2-4-16(5-3-1)19-17(15-6-8-20-9-7-15)14-18(22-23-19)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2
InChIKeyFLPJMKYUGAMWET-UHFFFAOYSA-N
XLogP2.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The IUPAC name of 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine (CID 59867520) is 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine.
What is the SMILES notation for 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The canonical SMILES for 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine is c1ccc(-c2nnc(N3CCNCC3)cc2-c2ccncc2)cc1.
What is the InChIKey of 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
The InChIKey is FLPJMKYUGAMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-4-16(5-3-1)19-17(15-6-8-20-9-7-15)14-18(22-23-19)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2.
What are the key properties of 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine?
3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine has a molecular weight of 317.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine is sourced from PubChem (CID 59867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).