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

C18H23N5O — CID 7178098

IUPAC1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-2-6-18(24)23-13-11-22(12-14-23)17-10-9-16(20-21-17)19-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3,(H,19,20)
InChIKeyVREYCQBEHGKACS-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.67
Rot. Bonds5

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

1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 7178098) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID7178098
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-2-6-18(24)23-13-11-22(12-14-23)17-10-9-16(20-21-17)19-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3,(H,19,20)
InChIKeyVREYCQBEHGKACS-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 7178105
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748323
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 7178098) is 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1.
What is the InChIKey of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is VREYCQBEHGKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-6-18(24)23-13-11-22(12-14-23)17-10-9-16(20-21-17)19-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3,(H,19,20).
What are the key properties of 1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one?
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.67, 5 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]butan-1-one is sourced from PubChem (CID 7178098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).