[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine

C11H19N5OS — CID 105254731

IUPAC[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(c1cn[nH]n1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H19N5OS/c12-14-10(9-6-13-16-15-9)8-1-3-17-11(5-8)2-4-18-7-11/h6,8,10,14H,1-5,7,12H2,(H,13,15,16)
InChIKeyBDJDGTOCXKTWFJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.61
Rot. Bonds3

About [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine

[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine (PubChem CID 105254731) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
PubChem CID105254731
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(c1cn[nH]n1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H19N5OS/c12-14-10(9-6-13-16-15-9)8-1-3-17-11(5-8)2-4-18-7-11/h6,8,10,14H,1-5,7,12H2,(H,13,15,16)
InChIKeyBDJDGTOCXKTWFJ-UHFFFAOYSA-N
XLogP0.61
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
[cyclopropyl(2H-triazol-4-yl)methyl]hydrazine
CID 105254611
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860112
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105280900
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937

Frequently Asked Questions

What is the IUPAC name of [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine?
The IUPAC name of [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine (CID 105254731) is [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine?
The canonical SMILES for [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine is NNC(c1cn[nH]n1)C1CCOC2(CCSC2)C1.
What is the InChIKey of [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine?
The InChIKey is BDJDGTOCXKTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c12-14-10(9-6-13-16-15-9)8-1-3-17-11(5-8)2-4-18-7-11/h6,8,10,14H,1-5,7,12H2,(H,13,15,16).
What are the key properties of [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine?
[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine has a molecular weight of 269.37 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).