1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone

C13H21N5O2 — CID 121137222

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C13H21N5O2/c1-16(2)11-8-12(15-14-9-11)17-4-6-18(7-5-17)13(19)10-20-3/h8-9H,4-7,10H2,1-3H3
InChIKeyIXNYYUJQFZXILV-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.16
Rot. Bonds4

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 121137222) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID121137222
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C13H21N5O2/c1-16(2)11-8-12(15-14-9-11)17-4-6-18(7-5-17)13(19)10-20-3/h8-9H,4-7,10H2,1-3H3
InChIKeyIXNYYUJQFZXILV-UHFFFAOYSA-N
XLogP-0.16
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122342772
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122342689
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122342714
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342618
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342617
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 122342638

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone (CID 121137222) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IXNYYUJQFZXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16(2)11-8-12(15-14-9-11)17-4-6-18(7-5-17)13(19)10-20-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 279.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 121137222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).