3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one

C13H17N5O2S — CID 35755483

IUPAC3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one
SMILESCCOc1ccccc1CSc1nnc(NN)c(=O)n1C
InChIInChI=1S/C13H17N5O2S/c1-3-20-10-7-5-4-6-9(10)8-21-13-17-16-11(15-14)12(19)18(13)2/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeySJUTZHREJRDJDN-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.15
Rot. Bonds6

About 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one

3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one (PubChem CID 35755483) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one
PubChem CID35755483
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one
SMILESCCOc1ccccc1CSc1nnc(NN)c(=O)n1C
InChIInChI=1S/C13H17N5O2S/c1-3-20-10-7-5-4-6-9(10)8-21-13-17-16-11(15-14)12(19)18(13)2/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeySJUTZHREJRDJDN-UHFFFAOYSA-N
XLogP1.15
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-ethoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 8630573
4-methyl-3-[3-(2-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-one
CID 47453863
2-[2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzonitrile
CID 107785937

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one (CID 35755483) is 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one is CCOc1ccccc1CSc1nnc(NN)c(=O)n1C.
What is the InChIKey of 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one?
The InChIKey is SJUTZHREJRDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-20-10-7-5-4-6-9(10)8-21-13-17-16-11(15-14)12(19)18(13)2/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one?
3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one has a molecular weight of 307.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methylsulfanyl]-6-hydrazinyl-4-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 35755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).