(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine

C10H16N4OS — CID 18530213

IUPAC(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCCC1Sc1ncn[nH]1
InChIInChI=1S/C10H16N4OS/c15-14-8-5-3-1-2-4-6-9(8)16-10-11-7-12-13-10/h7,9,15H,1-6H2,(H,11,12,13)/b14-8-
InChIKeyFGSNZBYOLKHXJJ-ZSOIEALJSA-N
MW240.33 g/mol
LogP2.45
Rot. Bonds2

About (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine

(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine (PubChem CID 18530213) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine
PubChem CID18530213
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCCC1Sc1ncn[nH]1
InChIInChI=1S/C10H16N4OS/c15-14-8-5-3-1-2-4-6-9(8)16-10-11-7-12-13-10/h7,9,15H,1-6H2,(H,11,12,13)/b14-8-
InChIKeyFGSNZBYOLKHXJJ-ZSOIEALJSA-N
XLogP2.45
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine (CID 18530213) is (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine is O/N=C1/CCCCCCC1Sc1ncn[nH]1.
What is the InChIKey of (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine?
The InChIKey is FGSNZBYOLKHXJJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C10H16N4OS/c15-14-8-5-3-1-2-4-6-9(8)16-10-11-7-12-13-10/h7,9,15H,1-6H2,(H,11,12,13)/b14-8-.
What are the key properties of (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine?
(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine has a molecular weight of 240.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctylidene]hydroxylamine is sourced from PubChem (CID 18530213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).