1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one

C19H32N6O — CID 121038195

IUPAC1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)CC1
InChIInChI=1S/C19H32N6O/c1-4-22-7-9-23(10-8-22)17-5-6-18(21-20-17)24-11-13-25(14-12-24)19(26)15-16(2)3/h5-6,16H,4,7-15H2,1-3H3
InChIKeyRENGHMNXTLPVFH-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.31
Rot. Bonds5

About 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one

1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 121038195) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID121038195
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)CC1
InChIInChI=1S/C19H32N6O/c1-4-22-7-9-23(10-8-22)17-5-6-18(21-20-17)24-11-13-25(14-12-24)19(26)15-16(2)3/h5-6,16H,4,7-15H2,1-3H3
InChIKeyRENGHMNXTLPVFH-UHFFFAOYSA-N
XLogP1.31
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 121038220
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
CID 121038125
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 70703521

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one (CID 121038195) is 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one is CCN1CCN(c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is RENGHMNXTLPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-22-7-9-23(10-8-22)17-5-6-18(21-20-17)24-11-13-25(14-12-24)19(26)15-16(2)3/h5-6,16H,4,7-15H2,1-3H3.
What are the key properties of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 360.51 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 121038195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).