1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

C17H17Cl2N5O2 — CID 109117331

IUPAC1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)17(26)14-4-5-16(22-21-14)20-15-10-12(18)2-3-13(15)19/h2-5,10H,6-9H2,1H3,(H,20,22)
InChIKeyROOVXVYYISJZKM-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109117331) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID109117331
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)17(26)14-4-5-16(22-21-14)20-15-10-12(18)2-3-13(15)19/h2-5,10H,6-9H2,1H3,(H,20,22)
InChIKeyROOVXVYYISJZKM-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
methyl 4-chloro-3-[[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109112030
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
[6-(2,5-dichloroanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363756
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (CID 109117331) is 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)nn2)CC1.
What is the InChIKey of 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ROOVXVYYISJZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)17(26)14-4-5-16(22-21-14)20-15-10-12(18)2-3-13(15)19/h2-5,10H,6-9H2,1H3,(H,20,22).
What are the key properties of 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 394.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109117331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).