2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile

C10H13N3O2 — CID 82442992

IUPAC2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
SMILESCOCCn1nc(C)cc(CC#N)c1=O
InChIInChI=1S/C10H13N3O2/c1-8-7-9(3-4-11)10(14)13(12-8)5-6-15-2/h7H,3,5-6H2,1-2H3
InChIKeyDBKKXVCOVQVBND-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.26
Rot. Bonds4

About 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile

2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile (PubChem CID 82442992) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
PubChem CID82442992
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
SMILESCOCCn1nc(C)cc(CC#N)c1=O
InChIInChI=1S/C10H13N3O2/c1-8-7-9(3-4-11)10(14)13(12-8)5-6-15-2/h7H,3,5-6H2,1-2H3
InChIKeyDBKKXVCOVQVBND-UHFFFAOYSA-N
XLogP0.26
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
CID 82442975
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82443029
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443028
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446816
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile?
The IUPAC name of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile (CID 82442992) is 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile is COCCn1nc(C)cc(CC#N)c1=O.
What is the InChIKey of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile?
The InChIKey is DBKKXVCOVQVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8-7-9(3-4-11)10(14)13(12-8)5-6-15-2/h7H,3,5-6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile?
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile is sourced from PubChem (CID 82442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).