4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide

C13H18Br2N4O — CID 135770312

IUPAC4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN
InChIInChI=1S/C13H16N4O.2BrH/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14;;/h2-5,8,18H,6-7,14H2,1H3,(H,15,17);2*1H
InChIKeyKPRXQPBBHMSENE-UHFFFAOYSA-N
MW406.12 g/mol
LogP2.68
Rot. Bonds4

About 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide

4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide (PubChem CID 135770312) has the molecular formula C13H18Br2N4O and a molecular weight of 406.12 g/mol. Its IUPAC name is 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide.

Molecular Properties

Compound Name4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide
PubChem CID135770312
Molecular FormulaC13H18Br2N4O
Molecular Weight406.12 g/mol
Exact Mass403.98
IUPAC Name4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN
InChIInChI=1S/C13H16N4O.2BrH/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14;;/h2-5,8,18H,6-7,14H2,1H3,(H,15,17);2*1H
InChIKeyKPRXQPBBHMSENE-UHFFFAOYSA-N
XLogP2.68
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Moxiraprine
CID 71258
SMARCA-BD ligand 1 for Protac
CID 137045944
US11208399, Example 4
CID 155284580
US11208399, Example 47
CID 155284633
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
Phenol, 3-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 6410666
Phenol, 4-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 135754933
Phenol, 2-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 135770314
4-[6-Amino-3-(4-hydroxyphenyl)-5-methylpyridazin-1-ium-1-yl]butanoic acid chloride
CID 135998847
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide?
The IUPAC name of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide (CID 135770312) is 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide.
What is the SMILES notation for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide?
The canonical SMILES for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide is Br.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN.
What is the InChIKey of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide?
The InChIKey is KPRXQPBBHMSENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.2BrH/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14;;/h2-5,8,18H,6-7,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide?
4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide has a molecular weight of 406.12 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol;dihydrobromide is sourced from PubChem (CID 135770312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).