1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one

C20H24N4O2 — CID 122279328

IUPAC1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C20H24N4O2/c1-15(26-17-5-3-2-4-6-17)20(25)24-13-11-23(12-14-24)19-10-9-18(21-22-19)16-7-8-16/h2-6,9-10,15-16H,7-8,11-14H2,1H3
InChIKeyJGBZRXJOFIACGY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one

1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one (PubChem CID 122279328) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
PubChem CID122279328
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C20H24N4O2/c1-15(26-17-5-3-2-4-6-17)20(25)24-13-11-23(12-14-24)19-10-9-18(21-22-19)16-7-8-16/h2-6,9-10,15-16H,7-8,11-14H2,1H3
InChIKeyJGBZRXJOFIACGY-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
(2S)-2-phenoxy-1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]propan-1-one
CID 100753018
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one (CID 122279328) is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is JGBZRXJOFIACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(26-17-5-3-2-4-6-17)20(25)24-13-11-23(12-14-24)19-10-9-18(21-22-19)16-7-8-16/h2-6,9-10,15-16H,7-8,11-14H2,1H3.
What are the key properties of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one?
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 352.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 122279328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).