1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

C18H21N5O2 — CID 109116415

IUPAC1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(12-14)19-17-7-6-16(20-21-17)18(25)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyKQQODGVOZFLBSO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 109116415) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID109116415
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(12-14)19-17-7-6-16(20-21-17)18(25)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyKQQODGVOZFLBSO-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone 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-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109121887
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109125899
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
CID 108776741
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 109116415) is 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(C(=O)N3CCN(C)CC3)nn2)c1.
What is the InChIKey of 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is KQQODGVOZFLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(24)14-4-3-5-15(12-14)19-17-7-6-16(20-21-17)18(25)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H,19,21).
What are the key properties of 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109116415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).