[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine

C11H23N5O — CID 105318513

IUPAC[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
SMILESCCOCCCC(Cc1ncnn1CC)NN
InChIInChI=1S/C11H23N5O/c1-3-16-11(13-9-14-16)8-10(15-12)6-5-7-17-4-2/h9-10,15H,3-8,12H2,1-2H3
InChIKeyTVRZROJOGIDQMV-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.49
Rot. Bonds9

About [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine

[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine (PubChem CID 105318513) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
PubChem CID105318513
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
SMILESCCOCCCC(Cc1ncnn1CC)NN
InChIInChI=1S/C11H23N5O/c1-3-16-11(13-9-14-16)8-10(15-12)6-5-7-17-4-2/h9-10,15H,3-8,12H2,1-2H3
InChIKeyTVRZROJOGIDQMV-UHFFFAOYSA-N
XLogP0.49
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethyl-1,2,4-triazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225076
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225793
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105318623
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263

Frequently Asked Questions

What is the IUPAC name of [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The IUPAC name of [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine (CID 105318513) is [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The canonical SMILES for [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine is CCOCCCC(Cc1ncnn1CC)NN.
What is the InChIKey of [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The InChIKey is TVRZROJOGIDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-3-16-11(13-9-14-16)8-10(15-12)6-5-7-17-4-2/h9-10,15H,3-8,12H2,1-2H3.
What are the key properties of [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine has a molecular weight of 241.34 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105318513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).