N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

C10H12N4O3 — CID 43243633

IUPACN-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H12N4O3/c1-13(6-2-5-11)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,6-7H2,1H3,(H,12,15)
InChIKeyOFUKRIFNIRBGOW-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.09
Rot. Bonds4

About N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (PubChem CID 43243633) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
PubChem CID43243633
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC NameN-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H12N4O3/c1-13(6-2-5-11)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,6-7H2,1H3,(H,12,15)
InChIKeyOFUKRIFNIRBGOW-UHFFFAOYSA-N
XLogP-1.09
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
CID 3809948
4-(3,6-dioxo-1H-pyridazin-2-yl)butanenitrile
CID 24699332
N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
CID 43214064
N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 43290872
3-(3,6-dioxo-1H-pyridazin-2-yl)-2-methylpropanenitrile
CID 43367400
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60635018
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
CID 60635966
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide
CID 60636934

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (CID 43243633) is N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is CN(CCC#N)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The InChIKey is OFUKRIFNIRBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-13(6-2-5-11)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,6-7H2,1H3,(H,12,15).
What are the key properties of N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide has a molecular weight of 236.23 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 43243633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).