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

C11H12N4O — CID 135800501

IUPAC3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCN(C)c1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-15(2)11-12-10(16)9(13-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,14,16)
InChIKeyDROQXLOUHXGNTC-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.90
Rot. Bonds2

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

3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135800501) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135800501
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCN(C)c1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-15(2)11-12-10(16)9(13-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,14,16)
InChIKeyDROQXLOUHXGNTC-UHFFFAOYSA-N
XLogP0.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one (CID 135800501) is 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one is CN(C)c1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is DROQXLOUHXGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)11-12-10(16)9(13-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,14,16).
What are the key properties of 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one?
3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 216.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135800501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).