methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate

C12H18N4O3 — CID 90916202

IUPACmethyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCN(C)CC2)ccc1=O
InChIInChI=1S/C12H18N4O3/c1-14-5-7-15(8-6-14)10-3-4-11(17)16(13-10)9-12(18)19-2/h3-4H,5-9H2,1-2H3
InChIKeyOUXIGVAXAOQQFU-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.83
Rot. Bonds3

About methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate

methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate (PubChem CID 90916202) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
PubChem CID90916202
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCN(C)CC2)ccc1=O
InChIInChI=1S/C12H18N4O3/c1-14-5-7-15(8-6-14)10-3-4-11(17)16(13-10)9-12(18)19-2/h3-4H,5-9H2,1-2H3
InChIKeyOUXIGVAXAOQQFU-UHFFFAOYSA-N
XLogP-0.83
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate (CID 90916202) is methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate is COC(=O)Cn1nc(N2CCN(C)CC2)ccc1=O.
What is the InChIKey of methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate?
The InChIKey is OUXIGVAXAOQQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14-5-7-15(8-6-14)10-3-4-11(17)16(13-10)9-12(18)19-2/h3-4H,5-9H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate?
methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of -0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 90916202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).