6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid

C8H11N3O3 — CID 62487995

IUPAC6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCO)nn1
InChIInChI=1S/C8H11N3O3/c12-5-1-4-9-7-3-2-6(8(13)14)10-11-7/h2-3,12H,1,4-5H2,(H,9,11)(H,13,14)
InChIKeySELRNZANUIWDLV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.03
Rot. Bonds5

About 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid

6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid (PubChem CID 62487995) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
PubChem CID62487995
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCO)nn1
InChIInChI=1S/C8H11N3O3/c12-5-1-4-9-7-3-2-6(8(13)14)10-11-7/h2-3,12H,1,4-5H2,(H,9,11)(H,13,14)
InChIKeySELRNZANUIWDLV-UHFFFAOYSA-N
XLogP-0.03
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
CID 106213762
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-[2-[ethyl(methyl)amino]ethylamino]pyridazine-3-carboxylic acid
CID 62634269
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid (CID 62487995) is 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCCCO)nn1.
What is the InChIKey of 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid?
The InChIKey is SELRNZANUIWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-5-1-4-9-7-3-2-6(8(13)14)10-11-7/h2-3,12H,1,4-5H2,(H,9,11)(H,13,14).
What are the key properties of 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid?
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 62487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).