5-methyl-6-oxo-1H-pyridazine-3-carbonitrile

C6H5N3O — CID 137377773

IUPAC5-methyl-6-oxo-1H-pyridazine-3-carbonitrile
SMILESCc1cc(C#N)n[nH]c1=O
InChIInChI=1S/C6H5N3O/c1-4-2-5(3-7)8-9-6(4)10/h2H,1H3,(H,9,10)
InChIKeyZOZHBAJQLJBLGS-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.05
Rot. Bonds

About 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile

5-methyl-6-oxo-1H-pyridazine-3-carbonitrile (PubChem CID 137377773) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-oxo-1H-pyridazine-3-carbonitrile
PubChem CID137377773
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-methyl-6-oxo-1H-pyridazine-3-carbonitrile
SMILESCc1cc(C#N)n[nH]c1=O
InChIInChI=1S/C6H5N3O/c1-4-2-5(3-7)8-9-6(4)10/h2H,1H3,(H,9,10)
InChIKeyZOZHBAJQLJBLGS-UHFFFAOYSA-N
XLogP-0.05
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile?
The IUPAC name of 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile (CID 137377773) is 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile?
The canonical SMILES for 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile is Cc1cc(C#N)n[nH]c1=O.
What is the InChIKey of 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile?
The InChIKey is ZOZHBAJQLJBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-5(3-7)8-9-6(4)10/h2H,1H3,(H,9,10).
What are the key properties of 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile?
5-methyl-6-oxo-1H-pyridazine-3-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-1H-pyridazine-3-carbonitrile is sourced from PubChem (CID 137377773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).