[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine

C11H20BrN5O — CID 106466425

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
SMILESCn1nnc(Br)c1C(CCC1CCCCO1)NN
InChIInChI=1S/C11H20BrN5O/c1-17-10(11(12)15-16-17)9(14-13)6-5-8-4-2-3-7-18-8/h8-9,14H,2-7,13H2,1H3
InChIKeyHHPVROMSLCZBQM-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.43
Rot. Bonds5

About [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine (PubChem CID 106466425) has the molecular formula C11H20BrN5O and a molecular weight of 318.22 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
PubChem CID106466425
Molecular FormulaC11H20BrN5O
Molecular Weight318.22 g/mol
Exact Mass317.09
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
SMILESCn1nnc(Br)c1C(CCC1CCCCO1)NN
InChIInChI=1S/C11H20BrN5O/c1-17-10(11(12)15-16-17)9(14-13)6-5-8-4-2-3-7-18-8/h8-9,14H,2-7,13H2,1H3
InChIKeyHHPVROMSLCZBQM-UHFFFAOYSA-N
XLogP1.43
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.43
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

[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314237
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
[1-(3,5-dibromo-2-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105268360
[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 106466584
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-ol
CID 115814532
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine (CID 106466425) is [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine is Cn1nnc(Br)c1C(CCC1CCCCO1)NN.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine?
The InChIKey is HHPVROMSLCZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5O/c1-17-10(11(12)15-16-17)9(14-13)6-5-8-4-2-3-7-18-8/h8-9,14H,2-7,13H2,1H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine has a molecular weight of 318.22 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine is sourced from PubChem (CID 106466425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).