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

C10H15N3O — CID 170979419

IUPACethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCC.CCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C8H9N3O.C2H6/c1-3-6-5-10-11(2)8(12)7(6)4-9;1-2/h5H,3H2,1-2H3;1-2H3
InChIKeyKAWVXTPBEFNCTJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds1

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

ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile (PubChem CID 170979419) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
PubChem CID170979419
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nameethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCC.CCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C8H9N3O.C2H6/c1-3-6-5-10-11(2)8(12)7(6)4-9;1-2/h5H,3H2,1-2H3;1-2H3
InChIKeyKAWVXTPBEFNCTJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile (CID 170979419) is ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile is CC.CCc1cnn(C)c(=O)c1C#N.
What is the InChIKey of ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is KAWVXTPBEFNCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H6/c1-3-6-5-10-11(2)8(12)7(6)4-9;1-2/h5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile?
ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 170979419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).