2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile

C7H7N3O2 — CID 105061767

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile
SMILESCOc1ccc(=O)n(CC#N)n1
InChIInChI=1S/C7H7N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,5H2,1H3
InChIKeyCSGRJAHZAICNKZ-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.22
Rot. Bonds2

About 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile

2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile (PubChem CID 105061767) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile
PubChem CID105061767
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile
SMILESCOc1ccc(=O)n(CC#N)n1
InChIInChI=1S/C7H7N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,5H2,1H3
InChIKeyCSGRJAHZAICNKZ-UHFFFAOYSA-N
XLogP-0.22
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile (CID 105061767) is 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile is COc1ccc(=O)n(CC#N)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile?
The InChIKey is CSGRJAHZAICNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,5H2,1H3.
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile?
2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile has a molecular weight of 165.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)acetonitrile is sourced from PubChem (CID 105061767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).