2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

C11H14N4O2 — CID 4601009

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C11H14N4O2/c1-7-8(2)13-15(6-10(16)14(3)4)11(17)9(7)5-12/h6H2,1-4H3
InChIKeyARAAPKBRVFPCPT-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.18
Rot. Bonds2

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 4601009) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID4601009
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C11H14N4O2/c1-7-8(2)13-15(6-10(16)14(3)4)11(17)9(7)5-12/h6H2,1-4H3
InChIKeyARAAPKBRVFPCPT-UHFFFAOYSA-N
XLogP-0.18
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 4601009) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is Cc1nn(CC(=O)N(C)C)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is ARAAPKBRVFPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-8(2)13-15(6-10(16)14(3)4)11(17)9(7)5-12/h6H2,1-4H3.
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 234.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 4601009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).