2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol

C20H20N4O — CID 137029381

IUPAC2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H20N4O/c21-20-18(12-17(22-23-20)16-8-4-5-9-19(16)25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23)
InChIKeyRGDLBOJLTCPVJL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.43
Rot. Bonds3

About 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol (PubChem CID 137029381) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol
PubChem CID137029381
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H20N4O/c21-20-18(12-17(22-23-20)16-8-4-5-9-19(16)25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23)
InChIKeyRGDLBOJLTCPVJL-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-amino-5-(3-phenylpyrrolidin-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
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol (CID 137029381) is 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is RGDLBOJLTCPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20-18(12-17(22-23-20)16-8-4-5-9-19(16)25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23).
What are the key properties of 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 332.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).