N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C11H15N3O4 — CID 63295368

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C1CC1
InChIInChI=1S/C11H15N3O4/c15-8(7-1-2-7)5-12-10(17)6-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,1-2,5-6H2,(H,12,17)(H,13,16)
InChIKeyXULBCSRBVBTNHL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.58
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 63295368) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID63295368
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C1CC1
InChIInChI=1S/C11H15N3O4/c15-8(7-1-2-7)5-12-10(17)6-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,1-2,5-6H2,(H,12,17)(H,13,16)
InChIKeyXULBCSRBVBTNHL-UHFFFAOYSA-N
XLogP-1.58
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 63295368) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is XULBCSRBVBTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8(7-1-2-7)5-12-10(17)6-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,1-2,5-6H2,(H,12,17)(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 253.26 g/mol, XLogP of -1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 63295368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).