N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

C9H11N3O4S — CID 30789064

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyYDVQFJXMHNYZSO-ZCFIWIBFSA-N
MW257.27 g/mol
LogP-1.31
Rot. Bonds2

About N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30789064) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30789064
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyYDVQFJXMHNYZSO-ZCFIWIBFSA-N
XLogP-1.31
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30789064) is N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YDVQFJXMHNYZSO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N3O4S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-17(15,16)5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)/t6-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 257.27 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30789064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).