[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine

C11H19N5O — CID 105230654

IUPAC[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H19N5O/c12-15-9(10-13-7-14-16-10)8-2-5-17-11(6-8)3-1-4-11/h7-9,15H,1-6,12H2,(H,13,14,16)
InChIKeyCUNFQOUWLCZXSY-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.66
Rot. Bonds3

About [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine

[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine (PubChem CID 105230654) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
PubChem CID105230654
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
SMILESNNC(c1ncn[nH]1)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H19N5O/c12-15-9(10-13-7-14-16-10)8-2-5-17-11(6-8)3-1-4-11/h7-9,15H,1-6,12H2,(H,13,14,16)
InChIKeyCUNFQOUWLCZXSY-UHFFFAOYSA-N
XLogP0.66
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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(1H-1,2,4-triazol-5-yl)methanamine
CID 79911337
[5-oxaspiro[3.5]nonan-8-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254577
[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322157
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231085
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
[1,3-dihydro-2-benzofuran-5-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322181
[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105220110
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235

Frequently Asked Questions

What is the IUPAC name of [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The IUPAC name of [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine (CID 105230654) is [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The canonical SMILES for [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine is NNC(c1ncn[nH]1)C1CCOC2(CCC2)C1.
What is the InChIKey of [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
The InChIKey is CUNFQOUWLCZXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-15-9(10-13-7-14-16-10)8-2-5-17-11(6-8)3-1-4-11/h7-9,15H,1-6,12H2,(H,13,14,16).
What are the key properties of [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine?
[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine has a molecular weight of 237.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105230654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).