2-ethyl-3-oxopyridazine-4-carboxamide

C7H9N3O2 — CID 163405185

IUPAC2-ethyl-3-oxopyridazine-4-carboxamide
SMILESCCn1nccc(C(N)=O)c1=O
InChIInChI=1S/C7H9N3O2/c1-2-10-7(12)5(6(8)11)3-4-9-10/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyAEFNWJBERNGDHV-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.64
Rot. Bonds2

About 2-ethyl-3-oxopyridazine-4-carboxamide

2-ethyl-3-oxopyridazine-4-carboxamide (PubChem CID 163405185) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-ethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxopyridazine-4-carboxamide
PubChem CID163405185
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-ethyl-3-oxopyridazine-4-carboxamide
SMILESCCn1nccc(C(N)=O)c1=O
InChIInChI=1S/C7H9N3O2/c1-2-10-7(12)5(6(8)11)3-4-9-10/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyAEFNWJBERNGDHV-UHFFFAOYSA-N
XLogP-0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxamide
CID 12122391
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
4-(Aminomethyl)-2-methylpyridazin-3-one
CID 55285531
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 59531630
N,2-dimethyl-3-oxopyridazine-4-carboxamide
CID 68317501
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
2-Ethyl-4-methylpyridazin-3-one
CID 89243779
N-ethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 123163293
N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide
CID 123233261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-3-oxopyridazine-4-carboxamide (CID 163405185) is 2-ethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-oxopyridazine-4-carboxamide is CCn1nccc(C(N)=O)c1=O.
What is the InChIKey of 2-ethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is AEFNWJBERNGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-10-7(12)5(6(8)11)3-4-9-10/h3-4H,2H2,1H3,(H2,8,11).
What are the key properties of 2-ethyl-3-oxopyridazine-4-carboxamide?
2-ethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 163405185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).