6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one

C8H9N5OS — CID 82442212

IUPAC6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2nnc(N)s2)ccc1=O
InChIInChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-10-11-8(9)15-7/h3-4H,2H2,1H3,(H2,9,11)
InChIKeyDRIUCPIGCADJCA-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.36
Rot. Bonds2

About 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one

6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one (PubChem CID 82442212) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one
PubChem CID82442212
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2nnc(N)s2)ccc1=O
InChIInChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-10-11-8(9)15-7/h3-4H,2H2,1H3,(H2,9,11)
InChIKeyDRIUCPIGCADJCA-UHFFFAOYSA-N
XLogP0.36
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
CID 82105386
4-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105450
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-butan-2-yl-4,6-dimethylpyridin-2-one
CID 82525908
2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442203
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
2-ethyl-6-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442204
N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
CID 168893409
3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526113
3-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105447
5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
CID 76850717

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one (CID 82442212) is 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one is CCn1nc(-c2nnc(N)s2)ccc1=O.
What is the InChIKey of 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one?
The InChIKey is DRIUCPIGCADJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-10-11-8(9)15-7/h3-4H,2H2,1H3,(H2,9,11).
What are the key properties of 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one?
6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one has a molecular weight of 223.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).