[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine

C9H16BrN5O — CID 106466524

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCOC1C(NN)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O/c1-5-3-4-16-8(5)6(12-11)7-9(10)13-14-15(7)2/h5-6,8,12H,3-4,11H2,1-2H3
InChIKeyFCUPESRVJHMTQT-UHFFFAOYSA-N
MW290.17 g/mol
LogP0.51
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine (PubChem CID 106466524) has the molecular formula C9H16BrN5O and a molecular weight of 290.17 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
PubChem CID106466524
Molecular FormulaC9H16BrN5O
Molecular Weight290.17 g/mol
Exact Mass289.05
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCOC1C(NN)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O/c1-5-3-4-16-8(5)6(12-11)7-9(10)13-14-15(7)2/h5-6,8,12H,3-4,11H2,1-2H3
InChIKeyFCUPESRVJHMTQT-UHFFFAOYSA-N
XLogP0.51
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
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

[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709
[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 106466427
[(4-chloro-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105337240
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 106466425
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105316051
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
[(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305599
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 106462722

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine (CID 106466524) is [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine is CC1CCOC1C(NN)c1c(Br)nnn1C.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The InChIKey is FCUPESRVJHMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O/c1-5-3-4-16-8(5)6(12-11)7-9(10)13-14-15(7)2/h5-6,8,12H,3-4,11H2,1-2H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine has a molecular weight of 290.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 106466524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).