(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone

C18H23N5O — CID 109116683

IUPAC(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cccc(C)c3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)18(24)16-7-8-17(21-20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,21)
InChIKeyUDUROHIJXUKTJK-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.31
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone

(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone (PubChem CID 109116683) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
PubChem CID109116683
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cccc(C)c3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)18(24)16-7-8-17(21-20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,21)
InChIKeyUDUROHIJXUKTJK-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109116415
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
3-[[6-(4-benzylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109123091
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone (CID 109116683) is (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone is CCN1CCN(C(=O)c2ccc(Nc3cccc(C)c3)nn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone?
The InChIKey is UDUROHIJXUKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)18(24)16-7-8-17(21-20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,21).
What are the key properties of (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109116683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).