3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one

C10H10N4O — CID 14173635

IUPAC3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCn1nc(-c2ccccc2)c(=O)nc1N
InChIInChI=1S/C10H10N4O/c1-14-10(11)12-9(15)8(13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,15)
InChIKeyOZLIPDGLPJCBQT-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.42
Rot. Bonds1

About 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one

3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 14173635) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID14173635
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCn1nc(-c2ccccc2)c(=O)nc1N
InChIInChI=1S/C10H10N4O/c1-14-10(11)12-9(15)8(13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,15)
InChIKeyOZLIPDGLPJCBQT-UHFFFAOYSA-N
XLogP0.42
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-phenyl-4,9-dihydro-8H-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
CID 975606
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
3-amino-6-phenyl-4H-1,2,4-triazin-5-one
CID 135800499
Amino-6-phenyl-1,7-dihydro[1,2,4]triazolo[4,3-b][1,2,4] triazin-7-one
CID 129751061
2-Methyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 583336
3-Phenyl-7-methyl-4,9-dioxo-1,4,8,9-hydro-as-triazino(4,3-b)-triazpine-1,2,4
CID 614801
2-Methyl-6-phenyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
CID 5369469
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-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one (CID 14173635) is 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one is Cn1nc(-c2ccccc2)c(=O)nc1N.
What is the InChIKey of 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is OZLIPDGLPJCBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-10(11)12-9(15)8(13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,15).
What are the key properties of 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one?
3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 202.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 14173635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).