1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one

C20H27N5O — CID 7178105

IUPAC1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H27N5O/c1-3-16(4-2)20(26)25-14-12-24(13-15-25)19-11-10-18(22-23-19)21-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H,21,22)
InChIKeyKAYQLPBHRXRDAA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one

1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 7178105) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID7178105
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H27N5O/c1-3-16(4-2)20(26)25-14-12-24(13-15-25)19-11-10-18(22-23-19)21-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H,21,22)
InChIKeyKAYQLPBHRXRDAA-UHFFFAOYSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 6457766
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one (CID 7178105) is 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1.
What is the InChIKey of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is KAYQLPBHRXRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-16(4-2)20(26)25-14-12-24(13-15-25)19-11-10-18(22-23-19)21-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 353.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 7178105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).