(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C15H15BrN4O — CID 121060383

IUPAC(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)15(21)20-10-8-19(9-11-20)14-6-3-7-17-18-14/h1-7H,8-11H2
InChIKeyMEOIVFFUCHLVIJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.20
Rot. Bonds2

About (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060383) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060383
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)15(21)20-10-8-19(9-11-20)14-6-3-7-17-18-14/h1-7H,8-11H2
InChIKeyMEOIVFFUCHLVIJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 154747999
(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 119873679
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060383) is (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is O=C(c1ccccc1Br)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is MEOIVFFUCHLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-5-2-1-4-12(13)15(21)20-10-8-19(9-11-20)14-6-3-7-17-18-14/h1-7H,8-11H2.
What are the key properties of (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 347.22 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 (2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).