3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one

C10H10N4O — CID 135800500

IUPAC3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c1-11-10-12-9(15)8(13-14-10)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyOUSJXKJAYOAUBW-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.87
Rot. Bonds2

About 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one

3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135800500) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135800500
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c1-11-10-12-9(15)8(13-14-10)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyOUSJXKJAYOAUBW-UHFFFAOYSA-N
XLogP0.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one (CID 135800500) is 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one is CNc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is OUSJXKJAYOAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-11-10-12-9(15)8(13-14-10)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,15).
What are the key properties of 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 202.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135800500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).