2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol

C18H25N5O — CID 137029396

IUPAC2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol
SMILESCN(C)CC1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C18H25N5O/c1-22(2)12-13-7-9-23(10-8-13)16-11-15(20-21-18(16)19)14-5-3-4-6-17(14)24/h3-6,11,13,24H,7-10,12H2,1-2H3,(H2,19,21)
InChIKeyNCSVRIYOFWYLNA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.21
Rot. Bonds4

About 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029396) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029396
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol
SMILESCN(C)CC1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C18H25N5O/c1-22(2)12-13-7-9-23(10-8-13)16-11-15(20-21-18(16)19)14-5-3-4-6-17(14)24/h3-6,11,13,24H,7-10,12H2,1-2H3,(H2,19,21)
InChIKeyNCSVRIYOFWYLNA-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol 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
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
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol (CID 137029396) is 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol is CN(C)CC1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is NCSVRIYOFWYLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22(2)12-13-7-9-23(10-8-13)16-11-15(20-21-18(16)19)14-5-3-4-6-17(14)24/h3-6,11,13,24H,7-10,12H2,1-2H3,(H2,19,21).
What are the key properties of 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 327.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).