2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide

C9H10N4O2 — CID 166850859

IUPAC2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(C#N)ccc1=O
InChIInChI=1S/C9H10N4O2/c1-2-11-8(14)6-13-9(15)4-3-7(5-10)12-13/h3-4H,2,6H2,1H3,(H,11,14)
InChIKeyPTPXVHDCVWLALQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.75
Rot. Bonds3

About 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide

2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide (PubChem CID 166850859) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide
PubChem CID166850859
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(C#N)ccc1=O
InChIInChI=1S/C9H10N4O2/c1-2-11-8(14)6-13-9(15)4-3-7(5-10)12-13/h3-4H,2,6H2,1H3,(H,11,14)
InChIKeyPTPXVHDCVWLALQ-UHFFFAOYSA-N
XLogP-0.75
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide (CID 166850859) is 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1nc(C#N)ccc1=O.
What is the InChIKey of 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide?
The InChIKey is PTPXVHDCVWLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-11-8(14)6-13-9(15)4-3-7(5-10)12-13/h3-4H,2,6H2,1H3,(H,11,14).
What are the key properties of 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide?
2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide has a molecular weight of 206.20 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-oxopyridazin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 166850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).