3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid

C10H11N3O3S — CID 112555181

IUPAC3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCSC1)c1ccnnc1
InChIInChI=1S/C10H11N3O3S/c14-8(7-1-3-11-12-5-7)13-10(9(15)16)2-4-17-6-10/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyZXDVGEDRTBKBCJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.17
Rot. Bonds3

About 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid

3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid (PubChem CID 112555181) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid
PubChem CID112555181
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCSC1)c1ccnnc1
InChIInChI=1S/C10H11N3O3S/c14-8(7-1-3-11-12-5-7)13-10(9(15)16)2-4-17-6-10/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyZXDVGEDRTBKBCJ-UHFFFAOYSA-N
XLogP0.17
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 113439206
2-(Pyridazine-4-carbonylamino)propanoic acid
CID 115909907
3-[(3,6-Dichloropyridazine-4-carbonyl)amino]thiolane-3-carboxylic acid
CID 61689559
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridazine-4-carboxamide
CID 103817349
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide
CID 103852367
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide
CID 103852414
(2S)-3,3-dimethyl-2-(pyridazine-4-carbonylamino)butanoic acid
CID 103925598
(2S)-2-(pyridazine-4-carbonylamino)propanoic acid
CID 103925679
(2R)-2-(pyridazine-4-carbonylamino)propanoic acid
CID 103925693
N-(1-hydroxy-2-methylbutan-2-yl)pyridazine-4-carboxamide
CID 104070306
4-Methylsulfanyl-2-(pyridazine-4-carbonylamino)butanoic acid
CID 104669331
4-Amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
CID 104669370

Frequently Asked Questions

What is the IUPAC name of 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid?
The IUPAC name of 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid (CID 112555181) is 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid.
What is the SMILES notation for 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid?
The canonical SMILES for 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCSC1)c1ccnnc1.
What is the InChIKey of 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid?
The InChIKey is ZXDVGEDRTBKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-8(7-1-3-11-12-5-7)13-10(9(15)16)2-4-17-6-10/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid?
3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridazine-4-carbonylamino)thiolane-3-carboxylic acid is sourced from PubChem (CID 112555181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).