N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

C9H12N4O3 — CID 35348833

IUPACN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N4O3/c1-13(2)8(15)5-10-9(16)6-3-4-7(14)12-11-6/h3-4H,5H2,1-2H3,(H,10,16)(H,12,14)
InChIKeyCAVLNMOKHFQCKX-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.41
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 35348833) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID35348833
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12N4O3/c1-13(2)8(15)5-10-9(16)6-3-4-7(14)12-11-6/h3-4H,5H2,1-2H3,(H,10,16)(H,12,14)
InChIKeyCAVLNMOKHFQCKX-UHFFFAOYSA-N
XLogP-1.41
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 35348833) is N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is CN(C)C(=O)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CAVLNMOKHFQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-13(2)8(15)5-10-9(16)6-3-4-7(14)12-11-6/h3-4H,5H2,1-2H3,(H,10,16)(H,12,14).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 35348833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).