[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine

C12H17N5O — CID 35754994

IUPAC[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine
SMILESCc1ccc(OCCc2nnc(NN)n2C)cc1
InChIInChI=1S/C12H17N5O/c1-9-3-5-10(6-4-9)18-8-7-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyWMVHULSSIRECCS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.03
Rot. Bonds5

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

[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754994) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754994
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine
SMILESCc1ccc(OCCc2nnc(NN)n2C)cc1
InChIInChI=1S/C12H17N5O/c1-9-3-5-10(6-4-9)18-8-7-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyWMVHULSSIRECCS-UHFFFAOYSA-N
XLogP1.03
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine (CID 35754994) is [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine is Cc1ccc(OCCc2nnc(NN)n2C)cc1.
What is the InChIKey of [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is WMVHULSSIRECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-3-5-10(6-4-9)18-8-7-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine?
[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).