1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine

C18H20N6O — CID 171976196

IUPAC1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine
SMILESCOc1ccc(-c2nnc(N3CCN(C)CC3)c3cnncc23)cc1
InChIInChI=1S/C18H20N6O/c1-23-7-9-24(10-8-23)18-16-12-20-19-11-15(16)17(21-22-18)13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLEYTZHOTDLVUDE-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine

1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine (PubChem CID 171976196) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine
PubChem CID171976196
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine
SMILESCOc1ccc(-c2nnc(N3CCN(C)CC3)c3cnncc23)cc1
InChIInChI=1S/C18H20N6O/c1-23-7-9-24(10-8-23)18-16-12-20-19-11-15(16)17(21-22-18)13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLEYTZHOTDLVUDE-UHFFFAOYSA-N
XLogP1.85
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine (CID 171976196) is 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine is COc1ccc(-c2nnc(N3CCN(C)CC3)c3cnncc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine?
The InChIKey is LEYTZHOTDLVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-7-9-24(10-8-23)18-16-12-20-19-11-15(16)17(21-22-18)13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine?
1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine has a molecular weight of 336.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine is sourced from PubChem (CID 171976196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).