4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

C8H11N7OS2 — CID 62883136

IUPAC4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESNNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C8H11N7OS2/c9-10-6-5(11-14-18-6)3-17-8-13-12-7(16)15(8)4-1-2-4/h4,10H,1-3,9H2,(H,12,16)
InChIKeyGYIPPBYVCRROGX-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.34
Rot. Bonds5

About 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 62883136) has the molecular formula C8H11N7OS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID62883136
Molecular FormulaC8H11N7OS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESNNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C8H11N7OS2/c9-10-6-5(11-14-18-6)3-17-8-13-12-7(16)15(8)4-1-2-4/h4,10H,1-3,9H2,(H,12,16)
InChIKeyGYIPPBYVCRROGX-UHFFFAOYSA-N
XLogP0.34
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one (CID 62883136) is 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is NNc1snnc1CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is GYIPPBYVCRROGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7OS2/c9-10-6-5(11-14-18-6)3-17-8-13-12-7(16)15(8)4-1-2-4/h4,10H,1-3,9H2,(H,12,16).
What are the key properties of 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 285.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62883136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).