4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine

C16H20N4 — CID 13218685

IUPAC4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
SMILESCc1cc(-c2ccccc2)nnc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4/c1-13-12-15(14-6-4-3-5-7-14)17-18-16(13)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3
InChIKeyIKZHTLAHGSGAFA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.20
Rot. Bonds2

About 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine

4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine (PubChem CID 13218685) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine.

Molecular Properties

Compound Name4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
PubChem CID13218685
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
SMILESCc1cc(-c2ccccc2)nnc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4/c1-13-12-15(14-6-4-3-5-7-14)17-18-16(13)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3
InChIKeyIKZHTLAHGSGAFA-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine?
The IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine (CID 13218685) is 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine.
What is the SMILES notation for 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine?
The canonical SMILES for 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine is Cc1cc(-c2ccccc2)nnc1N1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine?
The InChIKey is IKZHTLAHGSGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-12-15(14-6-4-3-5-7-14)17-18-16(13)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine?
4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine has a molecular weight of 268.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine is sourced from PubChem (CID 13218685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).