[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C14H19N5 — CID 105224789

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1Cc2ccccc21
InChIInChI=1S/C14H19N5/c1-2-19-14(16-9-17-19)8-13(18-15)12-7-10-5-3-4-6-11(10)12/h3-6,9,12-13,18H,2,7-8,15H2,1H3
InChIKeyRMSKRUMZXHOISN-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.01
Rot. Bonds5

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105224789) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105224789
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1Cc2ccccc21
InChIInChI=1S/C14H19N5/c1-2-19-14(16-9-17-19)8-13(18-15)12-7-10-5-3-4-6-11(10)12/h3-6,9,12-13,18H,2,7-8,15H2,1H3
InChIKeyRMSKRUMZXHOISN-UHFFFAOYSA-N
XLogP1.01
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218898
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318516
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105224823
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105224704
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105224735
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105224737
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105245121

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105224789) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCn1ncnc1CC(NN)C1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is RMSKRUMZXHOISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-19-14(16-9-17-19)8-13(18-15)12-7-10-5-3-4-6-11(10)12/h3-6,9,12-13,18H,2,7-8,15H2,1H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 257.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105224789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).