3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine

C15H17BrN4 — CID 116972688

IUPAC3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
SMILESCC1CN(c2ccc(-c3ccccc3Br)nn2)CCN1
InChIInChI=1S/C15H17BrN4/c1-11-10-20(9-8-17-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3
InChIKeyVLDXEOSLONDRDY-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine

3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine (PubChem CID 116972688) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
PubChem CID116972688
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
SMILESCC1CN(c2ccc(-c3ccccc3Br)nn2)CCN1
InChIInChI=1S/C15H17BrN4/c1-11-10-20(9-8-17-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3
InChIKeyVLDXEOSLONDRDY-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
CID 116972807
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
CID 71639395
2-(2-bromophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449579
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
1-[5-(2,5-dibromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798280

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine (CID 116972688) is 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine is CC1CN(c2ccc(-c3ccccc3Br)nn2)CCN1.
What is the InChIKey of 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine?
The InChIKey is VLDXEOSLONDRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-11-10-20(9-8-17-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3.
What are the key properties of 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine?
3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine has a molecular weight of 333.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 116972688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).