N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C10H15N3O5 — CID 66169165

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCC(O)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O5/c1-10(18,6-14)5-11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,14,18H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeySTNDHVLCXRNJLM-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.60
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 66169165) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID66169165
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCC(O)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O5/c1-10(18,6-14)5-11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,14,18H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeySTNDHVLCXRNJLM-UHFFFAOYSA-N
XLogP-2.60
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 66169165) is N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is CC(O)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is STNDHVLCXRNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-10(18,6-14)5-11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,14,18H,4-6H2,1H3,(H,11,16)(H,12,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 257.25 g/mol, XLogP of -2.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 66169165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).