1-(thiadiazol-5-yl)but-3-ynylhydrazine

C6H8N4S — CID 105281421

IUPAC1-(thiadiazol-5-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cnns1
InChIInChI=1S/C6H8N4S/c1-2-3-5(9-7)6-4-8-10-11-6/h1,4-5,9H,3,7H2
InChIKeySVXOTBZBFTYFQW-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.07
Rot. Bonds3

About 1-(thiadiazol-5-yl)but-3-ynylhydrazine

1-(thiadiazol-5-yl)but-3-ynylhydrazine (PubChem CID 105281421) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)but-3-ynylhydrazine
PubChem CID105281421
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name1-(thiadiazol-5-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cnns1
InChIInChI=1S/C6H8N4S/c1-2-3-5(9-7)6-4-8-10-11-6/h1,4-5,9H,3,7H2
InChIKeySVXOTBZBFTYFQW-UHFFFAOYSA-N
XLogP0.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(thiadiazol-5-yl)but-3-ynylhydrazine (CID 105281421) is 1-(thiadiazol-5-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(thiadiazol-5-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(thiadiazol-5-yl)but-3-ynylhydrazine is C#CCC(NN)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)but-3-ynylhydrazine?
The InChIKey is SVXOTBZBFTYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-2-3-5(9-7)6-4-8-10-11-6/h1,4-5,9H,3,7H2.
What are the key properties of 1-(thiadiazol-5-yl)but-3-ynylhydrazine?
1-(thiadiazol-5-yl)but-3-ynylhydrazine has a molecular weight of 168.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)but-3-ynylhydrazine is sourced from PubChem (CID 105281421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).