N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

C12H20N4O3 — CID 103219496

IUPACN-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)15-10-6-12(18)16(14-7-10)8-11(17)13-4-5-19-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyPOYNSBSUNYWLEK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.17
Rot. Bonds7

About N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (PubChem CID 103219496) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
PubChem CID103219496
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H20N4O3/c1-9(2)15-10-6-12(18)16(14-7-10)8-11(17)13-4-5-19-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyPOYNSBSUNYWLEK-UHFFFAOYSA-N
XLogP-0.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (CID 103219496) is N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is COCCNC(=O)Cn1ncc(NC(C)C)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The InChIKey is POYNSBSUNYWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(2)15-10-6-12(18)16(14-7-10)8-11(17)13-4-5-19-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is sourced from PubChem (CID 103219496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).