6-methoxypyridazine-3-carbonitrile

C6H5N3O — CID 12536657

IUPAC6-methoxypyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)nn1
InChIInChI=1S/C6H5N3O/c1-10-6-3-2-5(4-7)8-9-6/h2-3H,1H3
InChIKeyCGVYFDLCHLWJSC-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.36
Rot. Bonds1

About 6-methoxypyridazine-3-carbonitrile

6-methoxypyridazine-3-carbonitrile (PubChem CID 12536657) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-methoxypyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-methoxypyridazine-3-carbonitrile
PubChem CID12536657
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-methoxypyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)nn1
InChIInChI=1S/C6H5N3O/c1-10-6-3-2-5(4-7)8-9-6/h2-3H,1H3
InChIKeyCGVYFDLCHLWJSC-UHFFFAOYSA-N
XLogP0.36
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxypyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridazine-3-carbonitrile?
The IUPAC name of 6-methoxypyridazine-3-carbonitrile (CID 12536657) is 6-methoxypyridazine-3-carbonitrile.
What is the SMILES notation for 6-methoxypyridazine-3-carbonitrile?
The canonical SMILES for 6-methoxypyridazine-3-carbonitrile is COc1ccc(C#N)nn1.
What is the InChIKey of 6-methoxypyridazine-3-carbonitrile?
The InChIKey is CGVYFDLCHLWJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-10-6-3-2-5(4-7)8-9-6/h2-3H,1H3.
What are the key properties of 6-methoxypyridazine-3-carbonitrile?
6-methoxypyridazine-3-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridazine-3-carbonitrile is sourced from PubChem (CID 12536657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).