1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone

C18H24N6O2 — CID 137045910

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1C
InChIInChI=1S/C18H24N6O2/c1-12-11-23(7-8-24(12)17(26)10-20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,20,25H,7-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyJOIXHVFZSUECOJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.69
Rot. Bonds4

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 137045910) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone
PubChem CID137045910
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1C
InChIInChI=1S/C18H24N6O2/c1-12-11-23(7-8-24(12)17(26)10-20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,20,25H,7-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyJOIXHVFZSUECOJ-UHFFFAOYSA-N
XLogP0.69
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone (CID 137045910) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1C.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is JOIXHVFZSUECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-11-23(7-8-24(12)17(26)10-20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,20,25H,7-8,10-11H2,1-2H3,(H2,19,22).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 356.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 137045910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).