Chemical Properties of Metamitron (CAS 41394-05-2)

InChI

InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3

InChI Key

VHCNQEUWZYOAEV-UHFFFAOYSA-N

Formula

C10H10N4O

SMILES

Cc1nnc(-c2ccccc2)c(=O)n1N

Molecular Weight¹

202.21

CAS

41394-05-2

Other Names

• 1,2,4-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl-
• 3-Methyl-4-amino-6-phenyl-1,2,4-triazin(4H)-one
• 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
• 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
• BAY-DRW 1139
• DRW 1139
• Goltix
• Herbrak
• Metamiton
• Methiamitron
• as-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.05		Aq. Solubility Prediction
logPoct/wat	0.328		Crippen Calculated Property
McVol	150.030	ml/mol	McGowan Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		NIST
Tfus	440.05	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Metamitron.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.