[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine

C10H20BrN5O — CID 106466227

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
SMILESCOC(C(NN)c1c(Br)nnn1C)C(C)(C)C
InChIInChI=1S/C10H20BrN5O/c1-10(2,3)8(17-5)6(13-12)7-9(11)14-15-16(7)4/h6,8,13H,12H2,1-5H3
InChIKeyLVQQIAKFQJWTIL-UHFFFAOYSA-N
MW306.21 g/mol
LogP1.14
Rot. Bonds4

About [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine (PubChem CID 106466227) has the molecular formula C10H20BrN5O and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
PubChem CID106466227
Molecular FormulaC10H20BrN5O
Molecular Weight306.21 g/mol
Exact Mass305.09
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
SMILESCOC(C(NN)c1c(Br)nnn1C)C(C)(C)C
InChIInChI=1S/C10H20BrN5O/c1-10(2,3)8(17-5)6(13-12)7-9(11)14-15-16(7)4/h6,8,13H,12H2,1-5H3
InChIKeyLVQQIAKFQJWTIL-UHFFFAOYSA-N
XLogP1.14
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 51.14
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

1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589747
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106462995
[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine
CID 103140646
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N-methyl-2-phenylethanamine
CID 106463054
[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106466368
[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 106466427
[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 106466621
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine (CID 106466227) is [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine is COC(C(NN)c1c(Br)nnn1C)C(C)(C)C.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine?
The InChIKey is LVQQIAKFQJWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN5O/c1-10(2,3)8(17-5)6(13-12)7-9(11)14-15-16(7)4/h6,8,13H,12H2,1-5H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine has a molecular weight of 306.21 g/mol, XLogP of 1.14, 4 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)-2-methoxy-3,3-dimethylbutyl]hydrazine is sourced from PubChem (CID 106466227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).