2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile

C8H9N3O — CID 25323915

IUPAC2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1nn(C)c(=O)c(C#N)c1C
InChIInChI=1S/C8H9N3O/c1-5-6(2)10-11(3)8(12)7(5)4-9/h1-3H3
InChIKeyCIZYZUBJNUBRNR-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.27
Rot. Bonds

About 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile

2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 25323915) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID25323915
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1nn(C)c(=O)c(C#N)c1C
InChIInChI=1S/C8H9N3O/c1-5-6(2)10-11(3)8(12)7(5)4-9/h1-3H3
InChIKeyCIZYZUBJNUBRNR-UHFFFAOYSA-N
XLogP0.27
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile (CID 25323915) is 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile is Cc1nn(C)c(=O)c(C#N)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is CIZYZUBJNUBRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-6(2)10-11(3)8(12)7(5)4-9/h1-3H3.
What are the key properties of 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile?
2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 25323915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).