[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine

C11H15N5O2 — CID 35754947

IUPAC[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1cccc(OC)c1-c1nnc(NN)n1C
InChIInChI=1S/C11H15N5O2/c1-16-10(14-15-11(16)13-12)9-7(17-2)5-4-6-8(9)18-3/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyPYNGMIIBJVPLGP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.78
Rot. Bonds4

About [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine

[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754947) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754947
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1cccc(OC)c1-c1nnc(NN)n1C
InChIInChI=1S/C11H15N5O2/c1-16-10(14-15-11(16)13-12)9-7(17-2)5-4-6-8(9)18-3/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyPYNGMIIBJVPLGP-UHFFFAOYSA-N
XLogP0.78
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-(2,6-dimethoxyphenyl)-4-methyl-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 [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine (CID 35754947) is [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine is COc1cccc(OC)c1-c1nnc(NN)n1C.
What is the InChIKey of [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is PYNGMIIBJVPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-10(14-15-11(16)13-12)9-7(17-2)5-4-6-8(9)18-3/h4-6H,12H2,1-3H3,(H,13,15).
What are the key properties of [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine?
[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 249.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).