(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C17H20N4O3 — CID 121060283

IUPAC(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O3/c1-23-13-5-3-6-14(24-2)16(13)17(22)21-11-9-20(10-12-21)15-7-4-8-18-19-15/h3-8H,9-12H2,1-2H3
InChIKeyHLAXCLKFHRJZHE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.46
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060283) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060283
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O3/c1-23-13-5-3-6-14(24-2)16(13)17(22)21-11-9-20(10-12-21)15-7-4-8-18-19-15/h3-8H,9-12H2,1-2H3
InChIKeyHLAXCLKFHRJZHE-UHFFFAOYSA-N
XLogP1.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
(3-chloro-4-hydroxy-5-methoxyphenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 167852788
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 119873679
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060283) is (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is COc1cccc(OC)c1C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is HLAXCLKFHRJZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-5-3-6-14(24-2)16(13)17(22)21-11-9-20(10-12-21)15-7-4-8-18-19-15/h3-8H,9-12H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).