6-(hex-5-ynylamino)pyridazine-3-carboxamide

C11H14N4O — CID 103757420

IUPAC6-(hex-5-ynylamino)pyridazine-3-carboxamide
SMILESC#CCCCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H14N4O/c1-2-3-4-5-8-13-10-7-6-9(11(12)16)14-15-10/h1,6-7H,3-5,8H2,(H2,12,16)(H,13,15)
InChIKeyXTGGTMBMOLWSBF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds6

About 6-(hex-5-ynylamino)pyridazine-3-carboxamide

6-(hex-5-ynylamino)pyridazine-3-carboxamide (PubChem CID 103757420) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(hex-5-ynylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(hex-5-ynylamino)pyridazine-3-carboxamide
PubChem CID103757420
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-(hex-5-ynylamino)pyridazine-3-carboxamide
SMILESC#CCCCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H14N4O/c1-2-3-4-5-8-13-10-7-6-9(11(12)16)14-15-10/h1,6-7H,3-5,8H2,(H2,12,16)(H,13,15)
InChIKeyXTGGTMBMOLWSBF-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-ynylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(hex-5-ynylamino)pyridazine-3-carboxamide (CID 103757420) is 6-(hex-5-ynylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(hex-5-ynylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(hex-5-ynylamino)pyridazine-3-carboxamide is C#CCCCCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(hex-5-ynylamino)pyridazine-3-carboxamide?
The InChIKey is XTGGTMBMOLWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-4-5-8-13-10-7-6-9(11(12)16)14-15-10/h1,6-7H,3-5,8H2,(H2,12,16)(H,13,15).
What are the key properties of 6-(hex-5-ynylamino)pyridazine-3-carboxamide?
6-(hex-5-ynylamino)pyridazine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.79, 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-carboxamide is sourced from PubChem (CID 103757420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).