4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine

C19H26N6 — CID 139438505

IUPAC4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
SMILESCN1CCN(c2cc(N3CCNCC3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C19H26N6/c1-23-11-13-24(14-12-23)17-15-18(25-9-7-20-8-10-25)21-22-19(17)16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3
InChIKeyXUQZIYUHSKKIFF-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.30
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine

4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine (PubChem CID 139438505) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
PubChem CID139438505
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
SMILESCN1CCN(c2cc(N3CCNCC3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C19H26N6/c1-23-11-13-24(14-12-23)17-15-18(25-9-7-20-8-10-25)21-22-19(17)16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3
InChIKeyXUQZIYUHSKKIFF-UHFFFAOYSA-N
XLogP1.30
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine (CID 139438505) is 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine is CN1CCN(c2cc(N3CCNCC3)nnc2-c2ccccc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine?
The InChIKey is XUQZIYUHSKKIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-23-11-13-24(14-12-23)17-15-18(25-9-7-20-8-10-25)21-22-19(17)16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine?
4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine has a molecular weight of 338.46 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 139438505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).