3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one

C12H14N4O — CID 15586988

IUPAC3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCN(C)c1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C12H14N4O/c1-15(2)12-13-11(17)10(14-16(12)3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyZICDQZPZRKYUDA-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.91
Rot. Bonds2

About 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one

3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 15586988) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID15586988
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCN(C)c1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C12H14N4O/c1-15(2)12-13-11(17)10(14-16(12)3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyZICDQZPZRKYUDA-UHFFFAOYSA-N
XLogP0.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-dimethylamino-6-(p-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazine
CID 15586999
2-Methyl-3-methoxy-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 544892
2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 560500
2,4-Dimethyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-triazine
CID 583355
3-Methoxy-4-methyl-6-phenyl-5-oxo-4,5-dihydro-triazine
CID 612374
Amino-6-phenyl-1,7-dihydro[1,2,4]triazolo[4,3-b][1,2,4] triazin-7-one
CID 129751061
2,4-Dimethyl-6-phenyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 554108
3-Phenyl-7,10-dimethyl-4,9-dioxo-4,8,9,10-tetrahydro-1,2,4-triazino(4,3-b)[1,2,4]-triazepine
CID 568484
3-Amino-2-methyl-6-phenyl-1,2,4-triazin-5-one
CID 14173635
2-Methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one
CID 14173636
3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135800500
3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135800501

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one (CID 15586988) is 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one is CN(C)c1nc(=O)c(-c2ccccc2)nn1C.
What is the InChIKey of 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is ZICDQZPZRKYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15(2)12-13-11(17)10(14-16(12)3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one?
3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 15586988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).