[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine

C12H21N5OS — CID 105254675

IUPAC[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(c1cn[nH]n1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H21N5OS/c13-15-11(10-8-14-17-16-10)9-1-4-18-12(7-9)2-5-19-6-3-12/h8-9,11,15H,1-7,13H2,(H,14,16,17)
InChIKeyAJBICVDVUQKRQH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.00
Rot. Bonds3

About [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine

[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine (PubChem CID 105254675) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
PubChem CID105254675
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(c1cn[nH]n1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H21N5OS/c13-15-11(10-8-14-17-16-10)9-1-4-18-12(7-9)2-5-19-6-3-12/h8-9,11,15H,1-7,13H2,(H,14,16,17)
InChIKeyAJBICVDVUQKRQH-UHFFFAOYSA-N
XLogP1.00
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.00
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

[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254731
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[cyclopropyl(2H-triazol-4-yl)methyl]hydrazine
CID 105254611
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[(3-methylimidazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105264573
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326044
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849

Frequently Asked Questions

What is the IUPAC name of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine?
The IUPAC name of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine (CID 105254675) is [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine is NNC(c1cn[nH]n1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine?
The InChIKey is AJBICVDVUQKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c13-15-11(10-8-14-17-16-10)9-1-4-18-12(7-9)2-5-19-6-3-12/h8-9,11,15H,1-7,13H2,(H,14,16,17).
What are the key properties of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine?
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine has a molecular weight of 283.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).