[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine

C11H23N5O — CID 105318515

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

About [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine

[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105318515) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105318515
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1ncnn1CC)NN
InChIInChI=1S/C11H23N5O/c1-3-6-17-7-5-10(15-12)8-11-13-9-14-16(11)4-2/h9-10,15H,3-8,12H2,1-2H3
InChIKeyIYVYLQALKBJDAY-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)hexan-2-ylhydrazine
CID 105245744
[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105318513
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[1-(2-ethyl-1,2,4-triazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225076
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225793
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105318623

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine (CID 105318515) is [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1ncnn1CC)NN.
What is the InChIKey of [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is IYVYLQALKBJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-3-6-17-7-5-10(15-12)8-11-13-9-14-16(11)4-2/h9-10,15H,3-8,12H2,1-2H3.
What are the key properties of [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine?
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-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 [1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105318515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).