4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine

C17H23N7O — CID 155981001

IUPAC4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1ccc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nn1
InChIInChI=1S/C17H23N7O/c1-14-2-3-15(19-18-14)22-6-8-23(9-7-22)16-4-5-17(21-20-16)24-10-12-25-13-11-24/h2-5H,6-13H2,1H3
InChIKeySXWUVWVGICEDDT-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.74
Rot. Bonds3

About 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 155981001) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID155981001
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1ccc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nn1
InChIInChI=1S/C17H23N7O/c1-14-2-3-15(19-18-14)22-6-8-23(9-7-22)16-4-5-17(21-20-16)24-10-12-25-13-11-24/h2-5H,6-13H2,1H3
InChIKeySXWUVWVGICEDDT-UHFFFAOYSA-N
XLogP0.74
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine (CID 155981001) is 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine is Cc1ccc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nn1.
What is the InChIKey of 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is SXWUVWVGICEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-14-2-3-15(19-18-14)22-6-8-23(9-7-22)16-4-5-17(21-20-16)24-10-12-25-13-11-24/h2-5H,6-13H2,1H3.
What are the key properties of 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 341.42 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 155981001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).