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. Sol...
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. Sol...

Similar Compounds

Find more compounds similar to Metamitron.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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