[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine

C12H22BrN5 — CID 106466142

IUPAC[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)C1CCCCCCC1
InChIInChI=1S/C12H22BrN5/c1-18-11(12(13)16-17-18)10(15-14)9-7-5-3-2-4-6-8-9/h9-10,15H,2-8,14H2,1H3
InChIKeyQHNNVXOSWRAVNJ-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.44
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine (PubChem CID 106466142) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
PubChem CID106466142
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)C1CCCCCCC1
InChIInChI=1S/C12H22BrN5/c1-18-11(12(13)16-17-18)10(15-14)9-7-5-3-2-4-6-8-9/h9-10,15H,2-8,14H2,1H3
InChIKeyQHNNVXOSWRAVNJ-UHFFFAOYSA-N
XLogP2.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.44
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

1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 106466427
[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 106466524
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
1-(5-bromo-3-methyltriazol-4-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
CID 114215947
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 106466425

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine (CID 106466142) is [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine is Cn1nnc(Br)c1C(NN)C1CCCCCCC1.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine?
The InChIKey is QHNNVXOSWRAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-18-11(12(13)16-17-18)10(15-14)9-7-5-3-2-4-6-8-9/h9-10,15H,2-8,14H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine has a molecular weight of 316.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine is sourced from PubChem (CID 106466142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).