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

C17H24Br2N4O2 — CID 135754933

IUPAC4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-12-16(14-2-4-15(22)5-3-14)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
InChIKeyDRKKODWXCJXUCM-UHFFFAOYSA-N
MW476.21 g/mol
LogP3.06
Rot. Bonds5

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

4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (PubChem CID 135754933) has the molecular formula C17H24Br2N4O2 and a molecular weight of 476.21 g/mol. Its IUPAC name is 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.

Molecular Properties

Compound Name4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
PubChem CID135754933
Molecular FormulaC17H24Br2N4O2
Molecular Weight476.21 g/mol
Exact Mass474.03
IUPAC Name4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-12-16(14-2-4-15(22)5-3-14)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
InChIKeyDRKKODWXCJXUCM-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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The IUPAC name of 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (CID 135754933) is 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.
What is the SMILES notation for 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The canonical SMILES for 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is Br.Br.Cc1cc(-c2ccc(O)cc2)nnc1NCCN1CCOCC1.
What is the InChIKey of 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The InChIKey is DRKKODWXCJXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2BrH/c1-13-12-16(14-2-4-15(22)5-3-14)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 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
4-[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 4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is sourced from PubChem (CID 135754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).