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

C10H15N3O5 — CID 61233604

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CCO
InChIInChI=1S/C10H15N3O5/c14-5-3-12(4-6-15)10(18)7-13-9(17)2-1-8(16)11-13/h1-2,14-15H,3-7H2,(H,11,16)
InChIKeyKCHTYONJPSTDIX-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.65
Rot. Bonds6

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 61233604) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID61233604
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CCO
InChIInChI=1S/C10H15N3O5/c14-5-3-12(4-6-15)10(18)7-13-9(17)2-1-8(16)11-13/h1-2,14-15H,3-7H2,(H,11,16)
InChIKeyKCHTYONJPSTDIX-UHFFFAOYSA-N
XLogP-2.65
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 105648967
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 107363286
N-(2,2-difluoroethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 107482906
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483404
Bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium
CID 87910115
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide (CID 61233604) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is KCHTYONJPSTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c14-5-3-12(4-6-15)10(18)7-13-9(17)2-1-8(16)11-13/h1-2,14-15H,3-7H2,(H,11,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 257.25 g/mol, XLogP of -2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61233604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).