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

C16H19N5O2 — CID 137029408

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H19N5O2/c1-11(22)20-6-8-21(9-7-20)14-10-13(18-19-16(14)17)12-4-2-3-5-15(12)23/h2-5,10,23H,6-9H2,1H3,(H2,17,19)
InChIKeySPSLNCYVKLGTKH-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.10
Rot. Bonds2

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

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone (PubChem CID 137029408) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone
PubChem CID137029408
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H19N5O2/c1-11(22)20-6-8-21(9-7-20)14-10-13(18-19-16(14)17)12-4-2-3-5-15(12)23/h2-5,10,23H,6-9H2,1H3,(H2,17,19)
InChIKeySPSLNCYVKLGTKH-UHFFFAOYSA-N
XLogP1.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
US10308614, Example 8
CID 137029438
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162645940
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone (CID 137029408) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is SPSLNCYVKLGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(22)20-6-8-21(9-7-20)14-10-13(18-19-16(14)17)12-4-2-3-5-15(12)23/h2-5,10,23H,6-9H2,1H3,(H2,17,19).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 313.36 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 137029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).