6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid

C17H20BrN3O3 — CID 22622530

IUPAC6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid
SMILESCCCOc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C17H20BrN3O3/c1-3-9-24-15-7-5-13(18)10-12(15)11-21(4-2)16-8-6-14(17(22)23)19-20-16/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,23)
InChIKeySIGLSFHKYOINAE-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.75
Rot. Bonds8

About 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid

6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid (PubChem CID 22622530) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid
PubChem CID22622530
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid
SMILESCCCOc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C17H20BrN3O3/c1-3-9-24-15-7-5-13(18)10-12(15)11-21(4-2)16-8-6-14(17(22)23)19-20-16/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,23)
InChIKeySIGLSFHKYOINAE-UHFFFAOYSA-N
XLogP3.75
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide
CID 18789581
6-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridazine-3-carboxylic acid
CID 22105622
methyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate
CID 22622546
6-[[5-bromo-2-[(3-methylfuran-2-yl)methoxy]phenyl]methyl-ethylamino]pyridine-3-carboxylic acid
CID 22105580
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-4-propylsulfonylpyridazine-3-carboxamide
CID 69225955
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide
CID 22105639
methyl 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carboxylate
CID 11728230
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942
6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
CID 22622539
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid (CID 22622530) is 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid is CCCOc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is SIGLSFHKYOINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-3-9-24-15-7-5-13(18)10-12(15)11-21(4-2)16-8-6-14(17(22)23)19-20-16/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,23).
What are the key properties of 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid?
6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 394.27 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 22622530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).