[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine

C14H19N5 — CID 105224717

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1Cc2ccccc21
InChIInChI=1S/C14H19N5/c1-2-7-19-13(9-16-18-19)14(17-15)12-8-10-5-3-4-6-11(10)12/h3-6,9,12,14,17H,2,7-8,15H2,1H3
InChIKeyDTZCLIPECLTLCV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.53
Rot. Bonds5

About [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105224717) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105224717
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1Cc2ccccc21
InChIInChI=1S/C14H19N5/c1-2-7-19-13(9-16-18-19)14(17-15)12-8-10-5-3-4-6-11(10)12/h3-6,9,12,14,17H,2,7-8,15H2,1H3
InChIKeyDTZCLIPECLTLCV-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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

N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213664
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105249262
[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105221602
2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114653289
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
[2-methoxy-2-phenyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105279057
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 64984224

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105224717) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is DTZCLIPECLTLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-7-19-13(9-16-18-19)14(17-15)12-8-10-5-3-4-6-11(10)12/h3-6,9,12,14,17H,2,7-8,15H2,1H3.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 257.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105224717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).