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

C18H23N5O2 — CID 137029487

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1(C)C
InChIInChI=1S/C18H23N5O2/c1-12(24)23-9-8-22(11-18(23,2)3)15-10-14(20-21-17(15)19)13-6-4-5-7-16(13)25/h4-7,10,25H,8-9,11H2,1-3H3,(H2,19,21)
InChIKeyDBNSQEZQVVNLEM-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.88
Rot. Bonds2

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

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 137029487) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone
PubChem CID137029487
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1(C)C
InChIInChI=1S/C18H23N5O2/c1-12(24)23-9-8-22(11-18(23,2)3)15-10-14(20-21-17(15)19)13-6-4-5-7-16(13)25/h4-7,10,25H,8-9,11H2,1-3H3,(H2,19,21)
InChIKeyDBNSQEZQVVNLEM-UHFFFAOYSA-N
XLogP1.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone (CID 137029487) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1(C)C.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone?
The InChIKey is DBNSQEZQVVNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(24)23-9-8-22(11-18(23,2)3)15-10-14(20-21-17(15)19)13-6-4-5-7-16(13)25/h4-7,10,25H,8-9,11H2,1-3H3,(H2,19,21).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.88, 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]-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 137029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).