5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile

C8H9N3O — CID 170979420

IUPAC5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-3-6-5-10-11(2)8(12)7(6)4-9/h5H,3H2,1-2H3
InChIKeyGUQGCRYPPOIKGZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.21
Rot. Bonds1

About 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile

5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile (PubChem CID 170979420) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
PubChem CID170979420
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-3-6-5-10-11(2)8(12)7(6)4-9/h5H,3H2,1-2H3
InChIKeyGUQGCRYPPOIKGZ-UHFFFAOYSA-N
XLogP0.21
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-3-oxopyridazine-4-carbonitrile
CID 14223001
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
CID 163393222
ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile
CID 144607263
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
CID 133487328
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106034545
5-butan-2-yl-1-methylpyrazole-4-carbonitrile
CID 90875351
2-amino-5-ethyl-4-methylpyridine-3-carbonitrile
CID 19707203
3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
CID 170062221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 106040291
4-methoxy-1-methylpyrazole-5-carbonitrile
CID 15184252
4-amino-2,6-diethylbenzonitrile
CID 25067369

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile (CID 170979420) is 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile is CCc1cnn(C)c(=O)c1C#N.
What is the InChIKey of 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is GUQGCRYPPOIKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-3-6-5-10-11(2)8(12)7(6)4-9/h5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 170979420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).