5-pyridazin-3-yl-2,3-dihydrothiadiazole

C6H6N4S — CID 146613395

IUPAC5-pyridazin-3-yl-2,3-dihydrothiadiazole
SMILESC1=C(c2cccnn2)SNN1
InChIInChI=1S/C6H6N4S/c1-2-5(9-7-3-1)6-4-8-10-11-6/h1-4,8,10H
InChIKeyFYTOPABIAGHPCA-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.53
Rot. Bonds1

About 5-pyridazin-3-yl-2,3-dihydrothiadiazole

5-pyridazin-3-yl-2,3-dihydrothiadiazole (PubChem CID 146613395) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-pyridazin-3-yl-2,3-dihydrothiadiazole.

Molecular Properties

Compound Name5-pyridazin-3-yl-2,3-dihydrothiadiazole
PubChem CID146613395
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-pyridazin-3-yl-2,3-dihydrothiadiazole
SMILESC1=C(c2cccnn2)SNN1
InChIInChI=1S/C6H6N4S/c1-2-5(9-7-3-1)6-4-8-10-11-6/h1-4,8,10H
InChIKeyFYTOPABIAGHPCA-UHFFFAOYSA-N
XLogP0.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methylpyridazine
CID 74208
Pyridazin-3-ylmethanamine
CID 22639518
Pyridazine-3-carbothioamide
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1-methyl-3-[(E)-pyridazin-3-ylmethyleneamino]thiourea
CID 9579507
3-Ethenylpyridazine
CID 12344719
Pyridazine-3-carboximidamide hydrochloride
CID 18756080
1-(Pyridazin-3-yl)ethan-1-amine
CID 69035378
(Pyridazin-3-yl)methanamine dihydrochloride
CID 145712174
[(E)-pyridazin-3-ylmethyleneamino]thiourea
CID 9554762
[(E)-1-pyridazin-3-ylethylideneamino]thiourea
CID 9574639
3-Mercaptomethylpyridazine
CID 18411569
3-Methylpyridazine hydrochloride
CID 70299005

Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-3-yl-2,3-dihydrothiadiazole?
The IUPAC name of 5-pyridazin-3-yl-2,3-dihydrothiadiazole (CID 146613395) is 5-pyridazin-3-yl-2,3-dihydrothiadiazole.
What is the SMILES notation for 5-pyridazin-3-yl-2,3-dihydrothiadiazole?
The canonical SMILES for 5-pyridazin-3-yl-2,3-dihydrothiadiazole is C1=C(c2cccnn2)SNN1.
What is the InChIKey of 5-pyridazin-3-yl-2,3-dihydrothiadiazole?
The InChIKey is FYTOPABIAGHPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-2-5(9-7-3-1)6-4-8-10-11-6/h1-4,8,10H.
What are the key properties of 5-pyridazin-3-yl-2,3-dihydrothiadiazole?
5-pyridazin-3-yl-2,3-dihydrothiadiazole has a molecular weight of 166.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-3-yl-2,3-dihydrothiadiazole is sourced from PubChem (CID 146613395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).