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

C12H19N3O4 — CID 61448247

IUPACN-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-2-3-6-14(7-8-16)12(19)9-15-11(18)5-4-10(17)13-15/h4-5,16H,2-3,6-9H2,1H3,(H,13,17)
InChIKeyBHPPPFXZOQPUEL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.84
Rot. Bonds7

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

N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 61448247) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID61448247
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-2-3-6-14(7-8-16)12(19)9-15-11(18)5-4-10(17)13-15/h4-5,16H,2-3,6-9H2,1H3,(H,13,17)
InChIKeyBHPPPFXZOQPUEL-UHFFFAOYSA-N
XLogP-0.84
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
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
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43416271
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500440
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500745
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501076
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 43501159
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573293

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (CID 61448247) is N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is CCCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is BHPPPFXZOQPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-3-6-14(7-8-16)12(19)9-15-11(18)5-4-10(17)13-15/h4-5,16H,2-3,6-9H2,1H3,(H,13,17).
What are the key properties of N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61448247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).