6-(hex-5-ynylamino)pyridazine-3-carboxylic acid

C11H13N3O2 — CID 106213762

IUPAC6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
SMILESC#CCCCCNc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H13N3O2/c1-2-3-4-5-8-12-10-7-6-9(11(15)16)13-14-10/h1,6-7H,3-5,8H2,(H,12,14)(H,15,16)
InChIKeyRWRPVZJXJARLKH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.39
Rot. Bonds6

About 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid

6-(hex-5-ynylamino)pyridazine-3-carboxylic acid (PubChem CID 106213762) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
PubChem CID106213762
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
SMILESC#CCCCCNc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H13N3O2/c1-2-3-4-5-8-12-10-7-6-9(11(15)16)13-14-10/h1,6-7H,3-5,8H2,(H,12,14)(H,15,16)
InChIKeyRWRPVZJXJARLKH-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
3-N-hex-5-ynylpyridazine-3,6-diamine
CID 106215719
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-[2-[ethyl(methyl)amino]ethylamino]pyridazine-3-carboxylic acid
CID 62634269
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
5-(hex-5-ynylamino)-2-nitrobenzoic acid
CID 106213749

Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid (CID 106213762) is 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid is C#CCCCCNc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid?
The InChIKey is RWRPVZJXJARLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-4-5-8-12-10-7-6-9(11(15)16)13-14-10/h1,6-7H,3-5,8H2,(H,12,14)(H,15,16).
What are the key properties of 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid?
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-ynylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 106213762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).