5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine

C6H5N5S — CID 119085384

IUPAC5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccnn2)s1
InChIInChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-2-1-3-8-9-4/h1-3H,(H2,7,11)
InChIKeyFWWNUOOWEFRXMW-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.58
Rot. Bonds1

About 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine

5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 119085384) has the molecular formula C6H5N5S and a molecular weight of 179.21 g/mol. Its IUPAC name is 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID119085384
Molecular FormulaC6H5N5S
Molecular Weight179.21 g/mol
Exact Mass179.03
IUPAC Name5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccnn2)s1
InChIInChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-2-1-3-8-9-4/h1-3H,(H2,7,11)
InChIKeyFWWNUOOWEFRXMW-UHFFFAOYSA-N
XLogP0.58
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
CID 144794204
2-pyridazin-3-ylfuran-3-amine
CID 82415473
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 63080140
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 126478186
5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463033
ethane;pyridazin-3-amine
CID 123792295
5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 135394700
5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 135395752
4-chloro-3-pyridazin-3-ylaniline
CID 169176146
4-amino-3-pyridazin-3-ylbenzoic acid
CID 165444620

Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine (CID 119085384) is 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccnn2)s1.
What is the InChIKey of 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is FWWNUOOWEFRXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-2-1-3-8-9-4/h1-3H,(H2,7,11).
What are the key properties of 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine?
5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 179.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119085384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).