(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C17H19F2N5O — CID 122350588

IUPAC(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCNc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1
InChIInChI=1S/C17H19F2N5O/c1-2-20-14-6-7-15(22-21-14)23-8-10-24(11-9-23)17(25)16-12(18)4-3-5-13(16)19/h3-7H,2,8-11H2,1H3,(H,20,21)
InChIKeyKJPFVRGGFFCXAM-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.15
Rot. Bonds4

About (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122350588) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122350588
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCNc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1
InChIInChI=1S/C17H19F2N5O/c1-2-20-14-6-7-15(22-21-14)23-8-10-24(11-9-23)17(25)16-12(18)4-3-5-13(16)19/h3-7H,2,8-11H2,1H3,(H,20,21)
InChIKeyKJPFVRGGFFCXAM-UHFFFAOYSA-N
XLogP2.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587
2-(2-chloro-6-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122350887
(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 70702741
[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919528
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350889
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122350588) is (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CCNc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1.
What is the InChIKey of (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is KJPFVRGGFFCXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-2-20-14-6-7-15(22-21-14)23-8-10-24(11-9-23)17(25)16-12(18)4-3-5-13(16)19/h3-7H,2,8-11H2,1H3,(H,20,21).
What are the key properties of (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 347.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122350588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).