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

C9H13N3O5 — CID 66177479

IUPACN-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)CO
InChIInChI=1S/C9H13N3O5/c13-5-6(14)3-10-8(16)4-12-9(17)2-1-7(15)11-12/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15)
InChIKeyCCPRATBRPMLZHU-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.99
Rot. Bonds5

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

N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 66177479) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID66177479
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)CO
InChIInChI=1S/C9H13N3O5/c13-5-6(14)3-10-8(16)4-12-9(17)2-1-7(15)11-12/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15)
InChIKeyCCPRATBRPMLZHU-UHFFFAOYSA-N
XLogP-2.99
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 66177479) is N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is CCPRATBRPMLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c13-5-6(14)3-10-8(16)4-12-9(17)2-1-7(15)11-12/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 243.22 g/mol, XLogP of -2.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 66177479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).