6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide

C9H11N3O3 — CID 141279186

IUPAC6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1cn[nH]c(=O)c1
InChIInChI=1S/C9H11N3O3/c13-8-3-6(4-10-12-8)9(14)11-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyAJDYVHXBOXGBNX-ZETCQYMHSA-N
MW209.20 g/mol
LogP-0.71
Rot. Bonds2

About 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide

6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide (PubChem CID 141279186) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide
PubChem CID141279186
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1cn[nH]c(=O)c1
InChIInChI=1S/C9H11N3O3/c13-8-3-6(4-10-12-8)9(14)11-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyAJDYVHXBOXGBNX-ZETCQYMHSA-N
XLogP-0.71
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide?
The IUPAC name of 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide (CID 141279186) is 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide?
The canonical SMILES for 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide is O=C(N[C@H]1CCOC1)c1cn[nH]c(=O)c1.
What is the InChIKey of 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide?
The InChIKey is AJDYVHXBOXGBNX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-3-6(4-10-12-8)9(14)11-7-1-2-15-5-7/h3-4,7H,1-2,5H2,(H,11,14)(H,12,13)/t7-/m0/s1.
What are the key properties of 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide?
6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide is sourced from PubChem (CID 141279186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).