2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide

C10H15N3O4 — CID 55168716

IUPAC2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1c(C)c(=O)n(CC(=O)NCCO)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6-7(2)10(17)13(12-9(6)16)5-8(15)11-3-4-14/h14H,3-5H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyMQKVYCONDPOXRN-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.74
Rot. Bonds4

About 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide

2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 55168716) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID55168716
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1c(C)c(=O)n(CC(=O)NCCO)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6-7(2)10(17)13(12-9(6)16)5-8(15)11-3-4-14/h14H,3-5H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyMQKVYCONDPOXRN-UHFFFAOYSA-N
XLogP-1.74
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (CID 55168716) is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is Cc1c(C)c(=O)n(CC(=O)NCCO)[nH]c1=O.
What is the InChIKey of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is MQKVYCONDPOXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-7(2)10(17)13(12-9(6)16)5-8(15)11-3-4-14/h14H,3-5H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 55168716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).