3-(4-methoxybutylamino)pyridazine-4-carboxylic acid

C10H15N3O3 — CID 80517584

IUPAC3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
SMILESCOCCCCNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-7-3-2-5-11-9-8(10(14)15)4-6-12-13-9/h4,6H,2-3,5,7H2,1H3,(H,11,13)(H,14,15)
InChIKeyQNUAKOSFVGMHCQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.01
Rot. Bonds7

About 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid

3-(4-methoxybutylamino)pyridazine-4-carboxylic acid (PubChem CID 80517584) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
PubChem CID80517584
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
SMILESCOCCCCNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-7-3-2-5-11-9-8(10(14)15)4-6-12-13-9/h4,6H,2-3,5,7H2,1H3,(H,11,13)(H,14,15)
InChIKeyQNUAKOSFVGMHCQ-UHFFFAOYSA-N
XLogP1.01
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
2-(4-methoxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710159
3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
CID 106010196

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid (CID 80517584) is 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid is COCCCCNc1nnccc1C(=O)O.
What is the InChIKey of 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid?
The InChIKey is QNUAKOSFVGMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-7-3-2-5-11-9-8(10(14)15)4-6-12-13-9/h4,6H,2-3,5,7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid?
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).