3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine

C22H24N6 — CID 101486048

IUPAC3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc(N4CCN(C)CC4)cc3)nn2)nn1
InChIInChI=1S/C22H24N6/c1-17-3-11-21(25-23-17)22-12-8-19(24-26-22)7-4-18-5-9-20(10-6-18)28-15-13-27(2)14-16-28/h3-12H,13-16H2,1-2H3/b7-4+
InChIKeyUZQMVRHCHHZCPW-QPJJXVBHSA-N
MW372.48 g/mol
LogP3.16
Rot. Bonds4

About 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine

3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine (PubChem CID 101486048) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine
PubChem CID101486048
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc(N4CCN(C)CC4)cc3)nn2)nn1
InChIInChI=1S/C22H24N6/c1-17-3-11-21(25-23-17)22-12-8-19(24-26-22)7-4-18-5-9-20(10-6-18)28-15-13-27(2)14-16-28/h3-12H,13-16H2,1-2H3/b7-4+
InChIKeyUZQMVRHCHHZCPW-QPJJXVBHSA-N
XLogP3.16
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine?
The IUPAC name of 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine (CID 101486048) is 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine is Cc1ccc(-c2ccc(/C=C/c3ccc(N4CCN(C)CC4)cc3)nn2)nn1.
What is the InChIKey of 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine?
The InChIKey is UZQMVRHCHHZCPW-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H24N6/c1-17-3-11-21(25-23-17)22-12-8-19(24-26-22)7-4-18-5-9-20(10-6-18)28-15-13-27(2)14-16-28/h3-12H,13-16H2,1-2H3/b7-4+.
What are the key properties of 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine?
3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine has a molecular weight of 372.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine is sourced from PubChem (CID 101486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).