5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

C11H17N5O2 — CID 103218209

IUPAC5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCN1CCN(C(=O)Cn2ncc(N)cc2=O)CC1
InChIInChI=1S/C11H17N5O2/c1-14-2-4-15(5-3-14)11(18)8-16-10(17)6-9(12)7-13-16/h6-7H,2-5,8,12H2,1H3
InChIKeyFJYJHUMFVGGYED-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.40
Rot. Bonds2

About 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 103218209) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID103218209
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCN1CCN(C(=O)Cn2ncc(N)cc2=O)CC1
InChIInChI=1S/C11H17N5O2/c1-14-2-4-15(5-3-14)11(18)8-16-10(17)6-9(12)7-13-16/h6-7H,2-5,8,12H2,1H3
InChIKeyFJYJHUMFVGGYED-UHFFFAOYSA-N
XLogP-1.40
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
2-(2-butyn-1-yl)-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29027947
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114393550
2-{4-[1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperazin-1-yl}-N-(propan-2-yl)acetamide
CID 172004908
2-{4-[1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperazin-1-yl}-N-methylacetamide
CID 172008352
N-tert-butyl-2-{4-[1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperazin-1-yl}acetamide
CID 172903993

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 103218209) is 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is CN1CCN(C(=O)Cn2ncc(N)cc2=O)CC1.
What is the InChIKey of 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is FJYJHUMFVGGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-14-2-4-15(5-3-14)11(18)8-16-10(17)6-9(12)7-13-16/h6-7H,2-5,8,12H2,1H3.
What are the key properties of 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 103218209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).