6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide

C11H16N4O2 — CID 113338947

IUPAC6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
SMILESC=CCCOCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H16N4O2/c1-2-3-7-17-8-6-13-10-5-4-9(11(12)16)14-15-10/h2,4-5H,1,3,6-8H2,(H2,12,16)(H,13,15)
InChIKeyLMQAVWLCWHEAQP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.58
Rot. Bonds8

About 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide

6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide (PubChem CID 113338947) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
PubChem CID113338947
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
SMILESC=CCCOCCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H16N4O2/c1-2-3-7-17-8-6-13-10-5-4-9(11(12)16)14-15-10/h2,4-5H,1,3,6-8H2,(H2,12,16)(H,13,15)
InChIKeyLMQAVWLCWHEAQP-UHFFFAOYSA-N
XLogP0.58
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide (CID 113338947) is 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide is C=CCCOCCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide?
The InChIKey is LMQAVWLCWHEAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-3-7-17-8-6-13-10-5-4-9(11(12)16)14-15-10/h2,4-5H,1,3,6-8H2,(H2,12,16)(H,13,15).
What are the key properties of 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide?
6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 113338947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).