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

C17H24Br2N4O2 — CID 6410666

IUPAC3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2cccc(O)c2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-11-16(14-3-2-4-15(22)12-14)19-20-17(13)18-5-6-21-7-9-23-10-8-21;;/h2-4,11-12,22H,5-10H2,1H3,(H,18,20);2*1H
InChIKeyZVCVGRVTJUPCFG-UHFFFAOYSA-N
MW476.21 g/mol
LogP3.06
Rot. Bonds5

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

3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (PubChem CID 6410666) has the molecular formula C17H24Br2N4O2 and a molecular weight of 476.21 g/mol. Its IUPAC name is 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.

Molecular Properties

Compound Name3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
PubChem CID6410666
Molecular FormulaC17H24Br2N4O2
Molecular Weight476.21 g/mol
Exact Mass474.03
IUPAC Name3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide
SMILESBr.Br.Cc1cc(-c2cccc(O)c2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2.2BrH/c1-13-11-16(14-3-2-4-15(22)12-14)19-20-17(13)18-5-6-21-7-9-23-10-8-21;;/h2-4,11-12,22H,5-10H2,1H3,(H,18,20);2*1H
InChIKeyZVCVGRVTJUPCFG-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 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The IUPAC name of 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide (CID 6410666) is 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide.
What is the SMILES notation for 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The canonical SMILES for 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is Br.Br.Cc1cc(-c2cccc(O)c2)nnc1NCCN1CCOCC1.
What is the InChIKey of 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
The InChIKey is ZVCVGRVTJUPCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2BrH/c1-13-11-16(14-3-2-4-15(22)12-14)19-20-17(13)18-5-6-21-7-9-23-10-8-21;;/h2-4,11-12,22H,5-10H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide?
3-[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 3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol;dihydrobromide is sourced from PubChem (CID 6410666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).