6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H17N3O3 — CID 43430538

IUPAC6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)C1CCCO1
InChIInChI=1S/C11H17N3O3/c1-7(9-3-2-6-17-9)12-11(16)8-4-5-10(15)14-13-8/h7,9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyHUWOOBUVPKWOAQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.06
Rot. Bonds3

About 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43430538) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43430538
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)C1CCCO1
InChIInChI=1S/C11H17N3O3/c1-7(9-3-2-6-17-9)12-11(16)8-4-5-10(15)14-13-8/h7,9H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyHUWOOBUVPKWOAQ-UHFFFAOYSA-N
XLogP-0.06
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146193165
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
1-(2,5-dimethylphenyl)-6-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 35227922
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082095
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43430538) is 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(NC(=O)C1=NNC(=O)CC1)C1CCCO1.
What is the InChIKey of 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HUWOOBUVPKWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(9-3-2-6-17-9)12-11(16)8-4-5-10(15)14-13-8/h7,9H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).