[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine

C12H23N5 — CID 105255052

IUPAC[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)C1CCCCCCC1
InChIInChI=1S/C12H23N5/c1-17-11(9-14-16-17)12(15-13)10-7-5-3-2-4-6-8-10/h9-10,12,15H,2-8,13H2,1H3
InChIKeyFTHAGDUQWYVUCY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.68
Rot. Bonds3

About [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine

[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105255052) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105255052
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)C1CCCCCCC1
InChIInChI=1S/C12H23N5/c1-17-11(9-14-16-17)12(15-13)10-7-5-3-2-4-6-8-10/h9-10,12,15H,2-8,13H2,1H3
InChIKeyFTHAGDUQWYVUCY-UHFFFAOYSA-N
XLogP1.68
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
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

[(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105210538
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
[(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 107194810
[(5-methyloxolan-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337682
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
[(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 106446511
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
CID 114686845
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238

Frequently Asked Questions

What is the IUPAC name of [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105255052) is [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine is Cn1nncc1C(NN)C1CCCCCCC1.
What is the InChIKey of [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is FTHAGDUQWYVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-17-11(9-14-16-17)12(15-13)10-7-5-3-2-4-6-8-10/h9-10,12,15H,2-8,13H2,1H3.
What are the key properties of [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine?
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 237.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105255052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).