6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide

C9H10N6O2 — CID 113253256

IUPAC6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCCc2ncno2)nn1
InChIInChI=1S/C9H10N6O2/c10-9(16)6-1-2-7(15-14-6)11-4-3-8-12-5-13-17-8/h1-2,5H,3-4H2,(H2,10,16)(H,11,15)
InChIKeyBMSZWRRHUDESKR-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.39
Rot. Bonds5

About 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide

6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide (PubChem CID 113253256) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
PubChem CID113253256
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCCc2ncno2)nn1
InChIInChI=1S/C9H10N6O2/c10-9(16)6-1-2-7(15-14-6)11-4-3-8-12-5-13-17-8/h1-2,5H,3-4H2,(H2,10,16)(H,11,15)
InChIKeyBMSZWRRHUDESKR-UHFFFAOYSA-N
XLogP-0.39
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide (CID 113253256) is 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCCc2ncno2)nn1.
What is the InChIKey of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is BMSZWRRHUDESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-9(16)6-1-2-7(15-14-6)11-4-3-8-12-5-13-17-8/h1-2,5H,3-4H2,(H2,10,16)(H,11,15).
What are the key properties of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 113253256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).