[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine

C15H23N5O — CID 105274950

IUPAC[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
SMILESCCOC(C)(CC)C(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H23N5O/c1-4-15(3,21-5-2)14(18-16)13-11-17-19-20(13)12-9-7-6-8-10-12/h6-11,14,18H,4-5,16H2,1-3H3
InChIKeyBYCJJDIRSMCJGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds7

About [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine

[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine (PubChem CID 105274950) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
PubChem CID105274950
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
SMILESCCOC(C)(CC)C(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H23N5O/c1-4-15(3,21-5-2)14(18-16)13-11-17-19-20(13)12-9-7-6-8-10-12/h6-11,14,18H,4-5,16H2,1-3H3
InChIKeyBYCJJDIRSMCJGJ-UHFFFAOYSA-N
XLogP1.98
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
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-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
CID 114689268
[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
CID 105227341
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686813
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine?
The IUPAC name of [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine (CID 105274950) is [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine?
The canonical SMILES for [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine is CCOC(C)(CC)C(NN)c1cnnn1-c1ccccc1.
What is the InChIKey of [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine?
The InChIKey is BYCJJDIRSMCJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-15(3,21-5-2)14(18-16)13-11-17-19-20(13)12-9-7-6-8-10-12/h6-11,14,18H,4-5,16H2,1-3H3.
What are the key properties of [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine?
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine has a molecular weight of 289.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105274950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).