3-(hexylamino)pyridazine-4-carboxylic acid

C11H17N3O2 — CID 80516727

IUPAC3-(hexylamino)pyridazine-4-carboxylic acid
SMILESCCCCCCNc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-7-12-10-9(11(15)16)6-8-13-14-10/h6,8H,2-5,7H2,1H3,(H,12,14)(H,15,16)
InChIKeyMRRRNDKJVXMPJU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.17
Rot. Bonds7

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

3-(hexylamino)pyridazine-4-carboxylic acid (PubChem CID 80516727) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(hexylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(hexylamino)pyridazine-4-carboxylic acid
PubChem CID80516727
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(hexylamino)pyridazine-4-carboxylic acid
SMILESCCCCCCNc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-7-12-10-9(11(15)16)6-8-13-14-10/h6,8H,2-5,7H2,1H3,(H,12,14)(H,15,16)
InChIKeyMRRRNDKJVXMPJU-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80686824
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663

Frequently Asked Questions

What is the IUPAC name of 3-(hexylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(hexylamino)pyridazine-4-carboxylic acid (CID 80516727) is 3-(hexylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(hexylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(hexylamino)pyridazine-4-carboxylic acid is CCCCCCNc1nnccc1C(=O)O.
What is the InChIKey of 3-(hexylamino)pyridazine-4-carboxylic acid?
The InChIKey is MRRRNDKJVXMPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-4-5-7-12-10-9(11(15)16)6-8-13-14-10/h6,8H,2-5,7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-(hexylamino)pyridazine-4-carboxylic acid?
3-(hexylamino)pyridazine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).