3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid

C9H8N2O2S — CID 69378575

IUPAC3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid
SMILESO=C(O)C1=CCNN=C1c1cccs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)6-3-4-10-11-8(6)7-2-1-5-14-7/h1-3,5,10H,4H2,(H,12,13)
InChIKeyLDHMDEBANSQGRK-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.07
Rot. Bonds2

About 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid

3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid (PubChem CID 69378575) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid
PubChem CID69378575
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid
SMILESO=C(O)C1=CCNN=C1c1cccs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)6-3-4-10-11-8(6)7-2-1-5-14-7/h1-3,5,10H,4H2,(H,12,13)
InChIKeyLDHMDEBANSQGRK-UHFFFAOYSA-N
XLogP1.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 22309076
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
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furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid (CID 69378575) is 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid is O=C(O)C1=CCNN=C1c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid?
The InChIKey is LDHMDEBANSQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)6-3-4-10-11-8(6)7-2-1-5-14-7/h1-3,5,10H,4H2,(H,12,13).
What are the key properties of 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid?
3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid is sourced from PubChem (CID 69378575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).