(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

C16H17BrN4O2 — CID 16883324

IUPAC(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1
InChIInChI=1S/C16H17BrN4O2/c1-23-15-7-6-14(18-19-15)20-8-10-21(11-9-20)16(22)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3
InChIKeyAMQLHJNXMWENJK-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.21
Rot. Bonds3

About (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883324) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883324
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC Name(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1
InChIInChI=1S/C16H17BrN4O2/c1-23-15-7-6-14(18-19-15)20-8-10-21(11-9-20)16(22)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3
InChIKeyAMQLHJNXMWENJK-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883333
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
6-[4-(2-bromobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081681
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
(2-bromophenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054063

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883324) is (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1.
What is the InChIKey of (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is AMQLHJNXMWENJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-23-15-7-6-14(18-19-15)20-8-10-21(11-9-20)16(22)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 377.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).