2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile

C8H9N3O — CID 84764612

IUPAC2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile
SMILESCCn1ncc(CC#N)cc1=O
InChIInChI=1S/C8H9N3O/c1-2-11-8(12)5-7(3-4-9)6-10-11/h5-6H,2-3H2,1H3
InChIKeyPAOIGPNKRLDPJQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.33
Rot. Bonds2

About 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile

2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile (PubChem CID 84764612) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile
PubChem CID84764612
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile
SMILESCCn1ncc(CC#N)cc1=O
InChIInChI=1S/C8H9N3O/c1-2-11-8(12)5-7(3-4-9)6-10-11/h5-6H,2-3H2,1H3
InChIKeyPAOIGPNKRLDPJQ-UHFFFAOYSA-N
XLogP0.33
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile?
The IUPAC name of 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile (CID 84764612) is 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile is CCn1ncc(CC#N)cc1=O.
What is the InChIKey of 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile?
The InChIKey is PAOIGPNKRLDPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-11-8(12)5-7(3-4-9)6-10-11/h5-6H,2-3H2,1H3.
What are the key properties of 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile?
2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-oxopyridazin-4-yl)acetonitrile is sourced from PubChem (CID 84764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).