5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide

C12H9N3O3S — CID 116787572

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1csc(C#CCO)c1
InChIInChI=1S/C12H9N3O3S/c16-5-1-2-9-6-8(7-19-9)12(18)13-10-3-4-11(17)15-14-10/h3-4,6-7,16H,5H2,(H,15,17)(H,13,14,18)
InChIKeyNFDPENHKTCIMNF-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.43
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide (PubChem CID 116787572) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide
PubChem CID116787572
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1csc(C#CCO)c1
InChIInChI=1S/C12H9N3O3S/c16-5-1-2-9-6-8(7-19-9)12(18)13-10-3-4-11(17)15-14-10/h3-4,6-7,16H,5H2,(H,15,17)(H,13,14,18)
InChIKeyNFDPENHKTCIMNF-UHFFFAOYSA-N
XLogP0.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696754
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
CID 79696851
N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696600
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79693097
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-3-carboxamide
CID 79692399
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
N-(2,4-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696601
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696672
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide (CID 116787572) is 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide is O=C(Nc1ccc(=O)[nH]n1)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide?
The InChIKey is NFDPENHKTCIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-5-1-2-9-6-8(7-19-9)12(18)13-10-3-4-11(17)15-14-10/h3-4,6-7,16H,5H2,(H,15,17)(H,13,14,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 116787572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).