[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine

C11H19N5 — CID 106649357

IUPAC[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)c1cn[nH]n1
InChIInChI=1S/C11H19N5/c12-14-11(10-8-13-16-15-10)9-6-4-2-1-3-5-7-9/h6,8,11,14H,1-5,7,12H2,(H,13,15,16)
InChIKeyUTUSUJLFOUHSDX-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.59
Rot. Bonds3

About [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine

[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine (PubChem CID 106649357) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
PubChem CID106649357
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)c1cn[nH]n1
InChIInChI=1S/C11H19N5/c12-14-11(10-8-13-16-15-10)9-6-4-2-1-3-5-7-9/h6,8,11,14H,1-5,7,12H2,(H,13,15,16)
InChIKeyUTUSUJLFOUHSDX-UHFFFAOYSA-N
XLogP1.59
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 106650233
[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 106649430
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649312
[cyclohepten-1-yl-(2-ethylphenyl)methyl]hydrazine
CID 106650270
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
CID 106648587
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650019
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649721

Frequently Asked Questions

What is the IUPAC name of [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine?
The IUPAC name of [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine (CID 106649357) is [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine?
The canonical SMILES for [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine is NNC(C1=CCCCCCC1)c1cn[nH]n1.
What is the InChIKey of [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine?
The InChIKey is UTUSUJLFOUHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-14-11(10-8-13-16-15-10)9-6-4-2-1-3-5-7-9/h6,8,11,14H,1-5,7,12H2,(H,13,15,16).
What are the key properties of [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine?
[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine has a molecular weight of 221.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 106649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).