6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid

C14H15N3O3 — CID 60791797

IUPAC6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CCNc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-10(3-5-11)8-9-15-13-7-6-12(14(18)19)16-17-13/h2-7H,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXSSKRWBXSBFAES-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.84
Rot. Bonds6

About 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid

6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid (PubChem CID 60791797) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
PubChem CID60791797
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CCNc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-10(3-5-11)8-9-15-13-7-6-12(14(18)19)16-17-13/h2-7H,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXSSKRWBXSBFAES-UHFFFAOYSA-N
XLogP1.84
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122465
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid (CID 60791797) is 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid is COc1ccc(CCNc2ccc(C(=O)O)nn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is XSSKRWBXSBFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-11-4-2-10(3-5-11)8-9-15-13-7-6-12(14(18)19)16-17-13/h2-7H,8-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).