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

C13H22N4O3 — CID 103219445

IUPACN-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-9(2)15-11-5-13(19)17(14-6-11)7-12(18)16-10(3)8-20-4/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyGVXIQXYIMLXGMT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.21
Rot. Bonds7

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

N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (PubChem CID 103219445) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
PubChem CID103219445
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-9(2)15-11-5-13(19)17(14-6-11)7-12(18)16-10(3)8-20-4/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyGVXIQXYIMLXGMT-UHFFFAOYSA-N
XLogP0.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (CID 103219445) is N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is COCC(C)NC(=O)Cn1ncc(NC(C)C)cc1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The InChIKey is GVXIQXYIMLXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)15-11-5-13(19)17(14-6-11)7-12(18)16-10(3)8-20-4/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is sourced from PubChem (CID 103219445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).