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

C17H19BrN4O2 — CID 16883472

IUPAC(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1
InChIInChI=1S/C17H19BrN4O2/c1-2-24-16-8-7-15(19-20-16)21-9-11-22(12-10-21)17(23)13-5-3-4-6-14(13)18/h3-8H,2,9-12H2,1H3
InChIKeyNLAXFUABMDYYNI-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.60
Rot. Bonds4

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

(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883472) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883472
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1
InChIInChI=1S/C17H19BrN4O2/c1-2-24-16-8-7-15(19-20-16)21-9-11-22(12-10-21)17(23)13-5-3-4-6-14(13)18/h3-8H,2,9-12H2,1H3
InChIKeyNLAXFUABMDYYNI-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773889
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 16883530
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(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-ethoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883472) is (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone is CCOc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nn1.
What is the InChIKey of (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is NLAXFUABMDYYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-2-24-16-8-7-15(19-20-16)21-9-11-22(12-10-21)17(23)13-5-3-4-6-14(13)18/h3-8H,2,9-12H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 391.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).