1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine

C9H17N5 — CID 105269736

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ncnn1CC)NN
InChIInChI=1S/C9H17N5/c1-3-5-8(13-10)6-9-11-7-12-14(9)4-2/h3,7-8,13H,1,4-6,10H2,2H3
InChIKeyIHABMIOYKNAPFT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.25
Rot. Bonds6

About 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine

1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine (PubChem CID 105269736) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
PubChem CID105269736
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ncnn1CC)NN
InChIInChI=1S/C9H17N5/c1-3-5-8(13-10)6-9-11-7-12-14(9)4-2/h3,7-8,13H,1,4-6,10H2,2H3
InChIKeyIHABMIOYKNAPFT-UHFFFAOYSA-N
XLogP0.25
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-N-methylpent-4-en-2-amine
CID 116660609
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225793
[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)hexan-2-ylhydrazine
CID 105245744
[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)-5-methoxypentan-2-yl]hydrazine
CID 105225076
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105318513
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine (CID 105269736) is 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine is C=CCC(Cc1ncnn1CC)NN.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine?
The InChIKey is IHABMIOYKNAPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-5-8(13-10)6-9-11-7-12-14(9)4-2/h3,7-8,13H,1,4-6,10H2,2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine?
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine has a molecular weight of 195.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).