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

C17H22N6O2 — CID 137029375

IUPAC2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H22N6O2/c1-19-16(25)11-22-6-8-23(9-7-22)14-10-13(20-21-17(14)18)12-4-2-3-5-15(12)24/h2-5,10,24H,6-9,11H2,1H3,(H2,18,21)(H,19,25)
InChIKeyJFZYZJCUXXQMOL-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.30
Rot. Bonds4

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

2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide (PubChem CID 137029375) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
PubChem CID137029375
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H22N6O2/c1-19-16(25)11-22-6-8-23(9-7-22)14-10-13(20-21-17(14)18)12-4-2-3-5-15(12)24/h2-5,10,24H,6-9,11H2,1H3,(H2,18,21)(H,19,25)
InChIKeyJFZYZJCUXXQMOL-UHFFFAOYSA-N
XLogP0.30
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
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
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
(3S,4R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162670244
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide (CID 137029375) is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is JFZYZJCUXXQMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-19-16(25)11-22-6-8-23(9-7-22)14-10-13(20-21-17(14)18)12-4-2-3-5-15(12)24/h2-5,10,24H,6-9,11H2,1H3,(H2,18,21)(H,19,25).
What are the key properties of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide?
2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 342.40 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 137029375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).