3-oxo-3-pyridazin-4-ylpropanenitrile

C7H5N3O — CID 131087393

IUPAC3-oxo-3-pyridazin-4-ylpropanenitrile
SMILESN#CCC(=O)c1ccnnc1
InChIInChI=1S/C7H5N3O/c8-3-1-7(11)6-2-4-9-10-5-6/h2,4-5H,1H2
InChIKeyWFQPCMWIIQSFOY-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.57
Rot. Bonds2

About 3-oxo-3-pyridazin-4-ylpropanenitrile

3-oxo-3-pyridazin-4-ylpropanenitrile (PubChem CID 131087393) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 3-oxo-3-pyridazin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-oxo-3-pyridazin-4-ylpropanenitrile
PubChem CID131087393
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name3-oxo-3-pyridazin-4-ylpropanenitrile
SMILESN#CCC(=O)c1ccnnc1
InChIInChI=1S/C7H5N3O/c8-3-1-7(11)6-2-4-9-10-5-6/h2,4-5H,1H2
InChIKeyWFQPCMWIIQSFOY-UHFFFAOYSA-N
XLogP0.57
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-1-pyridazin-4-ylethanone
CID 88913580
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
3-ethyl-1-pyridazin-4-ylpentan-1-one
CID 105125376
pyridazine-4-carboxamide
CID 10920505
CID 88763605
CID 88763605
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propanenitrile
CID 68703655
4-(2-cyanoacetyl)pyridine-2-carboxamide
CID 173083339
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
3-oxo-3-[4-(piperidine-1-carbonyl)phenyl]propanenitrile
CID 170943865

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-pyridazin-4-ylpropanenitrile?
The IUPAC name of 3-oxo-3-pyridazin-4-ylpropanenitrile (CID 131087393) is 3-oxo-3-pyridazin-4-ylpropanenitrile.
What is the SMILES notation for 3-oxo-3-pyridazin-4-ylpropanenitrile?
The canonical SMILES for 3-oxo-3-pyridazin-4-ylpropanenitrile is N#CCC(=O)c1ccnnc1.
What is the InChIKey of 3-oxo-3-pyridazin-4-ylpropanenitrile?
The InChIKey is WFQPCMWIIQSFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c8-3-1-7(11)6-2-4-9-10-5-6/h2,4-5H,1H2.
What are the key properties of 3-oxo-3-pyridazin-4-ylpropanenitrile?
3-oxo-3-pyridazin-4-ylpropanenitrile has a molecular weight of 147.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-pyridazin-4-ylpropanenitrile is sourced from PubChem (CID 131087393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).