[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

C8H11N7OS2 — CID 80926852

IUPAC[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ncns2)n1
InChIInChI=1S/C8H11N7OS2/c1-4(2)16-6-12-5(15-9)13-7(14-6)17-8-10-3-11-18-8/h3-4H,9H2,1-2H3,(H,12,13,14,15)
InChIKeyBPCHAJZNPCAZMF-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.95
Rot. Bonds5

About [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80926852) has the molecular formula C8H11N7OS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80926852
Molecular FormulaC8H11N7OS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ncns2)n1
InChIInChI=1S/C8H11N7OS2/c1-4(2)16-6-12-5(15-9)13-7(14-6)17-8-10-3-11-18-8/h3-4H,9H2,1-2H3,(H,12,13,14,15)
InChIKeyBPCHAJZNPCAZMF-UHFFFAOYSA-N
XLogP0.95
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80926852) is [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(Sc2ncns2)n1.
What is the InChIKey of [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is BPCHAJZNPCAZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7OS2/c1-4(2)16-6-12-5(15-9)13-7(14-6)17-8-10-3-11-18-8/h3-4H,9H2,1-2H3,(H,12,13,14,15).
What are the key properties of [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
[4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 285.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yloxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80926852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).