2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide

C17H24Br2N4O2 — CID 135770314

IUPAC2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccccc2O)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-12-15(14-4-2-3-5-16(14)22)19-20-17(13)18-6-7-21-8-10-23-11-9-21;;/h2-5,12,22H,6-11H2,1H3,(H,18,20);2*1H
InChIKeyPOULBPABYBYDQE-UHFFFAOYSA-N
MW476.21 g/mol
LogP3.06
Rot. Bonds5

About 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide

2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (PubChem CID 135770314) has the molecular formula C17H24Br2N4O2 and a molecular weight of 476.21 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
PubChem CID135770314
Molecular FormulaC17H24Br2N4O2
Molecular Weight476.21 g/mol
Exact Mass474.03
IUPAC Name2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccccc2O)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-12-15(14-4-2-3-5-16(14)22)19-20-17(13)18-6-7-21-8-10-23-11-9-21;;/h2-5,12,22H,6-11H2,1H3,(H,18,20);2*1H
InChIKeyPOULBPABYBYDQE-UHFFFAOYSA-N
XLogP3.06
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide with MolForge

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Related Compounds

Moxiraprine
CID 71258
(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
SMARCA-BD ligand 1 for Protac
CID 137045944
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
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
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
US10308614, Example 45
CID 137029366
US11208399, Example 48
CID 155284639
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The IUPAC name of 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (CID 135770314) is 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.
What is the SMILES notation for 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The canonical SMILES for 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is Br.Br.Cc1cc(-c2ccccc2O)nnc1NCCN1CCOCC1.
What is the InChIKey of 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The InChIKey is POULBPABYBYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2BrH/c1-13-12-15(14-4-2-3-5-16(14)22)19-20-17(13)18-6-7-21-8-10-23-11-9-21;;/h2-5,12,22H,6-11H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide has a molecular weight of 476.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is sourced from PubChem (CID 135770314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).