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

C10H10N4O — CID 138396176

IUPAC4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILES[2H]N([2H])n1c(C)nnc(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3/i/hD2
InChIKeyVHCNQEUWZYOAEV-ZSJDYOACSA-N
MW204.23 g/mol
LogP0.33
Rot. Bonds2

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

4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 138396176) has the molecular formula C10H10N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID138396176
Molecular FormulaC10H10N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILES[2H]N([2H])n1c(C)nnc(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3/i/hD2
InChIKeyVHCNQEUWZYOAEV-ZSJDYOACSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Metamitron
CID 38854
Desaminometamitron
CID 135413636
3,6-Diphenyl-1,2,4-triazin-5-ol
CID 135413064
3,4-Diamino-6-(2-phenylethyl)-4,5-dihydro-1,2,4-triazin-5-one
CID 4962893
4-Amino-6-methyl-3-phenyl-1,2,4-triazin-5(4H)-one
CID 15721537
4-Amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5(4h)-one
CID 121215960
Bay-79758
CID 12295785
4-Amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13078493
4-Amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
CID 13458086
4-Amino-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13458087
4-Amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5(4H)-one
CID 21387750
3-amino-6-phenyl-4H-1,2,4-triazin-5-one
CID 135800499

Frequently Asked Questions

What is the IUPAC name of 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one (CID 138396176) is 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one is [2H]N([2H])n1c(C)nnc(-c2ccccc2)c1=O.
What is the InChIKey of 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is VHCNQEUWZYOAEV-ZSJDYOACSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3/i/hD2.
What are the key properties of 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one?
4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 204.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dideuterioamino)-3-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 138396176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).