1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one

C11H13N3O — CID 10954650

IUPAC1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one
SMILESCN1C(=O)CN=C(c2ccccc2)N1C
InChIInChI=1S/C11H13N3O/c1-13-10(15)8-12-11(14(13)2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeySEUGYYSWPNTYSL-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.75
Rot. Bonds1

About 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one

1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one (PubChem CID 10954650) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one
PubChem CID10954650
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one
SMILESCN1C(=O)CN=C(c2ccccc2)N1C
InChIInChI=1S/C11H13N3O/c1-13-10(15)8-12-11(14(13)2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeySEUGYYSWPNTYSL-UHFFFAOYSA-N
XLogP0.75
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
CID 153197655
7-bromo-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 16640294
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
CID 621971
1-tert-butyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 21480468
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
1-methyl-8-[(E)-3-oxobut-1-enyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58388830
7-ethynyl-1-methyl-5-phenyl-3H-thieno[3,2-e][1,4]diazepin-2-one
CID 89276168
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
4-ethyl-1,3-dimethyl-8-phenyl-6H-pyrazolo[4,5-e][1,4]diazepin-5-one
CID 54060772
7-chloro-1-methyl-5-phenyl-5a,9a-dihydro-3H-1,4-benzodiazepin-2-one
CID 20601346
azane;1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one;thiohydroxylamine
CID 142255276
6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 24846842

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one?
The IUPAC name of 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one (CID 10954650) is 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one.
What is the SMILES notation for 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one?
The canonical SMILES for 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one is CN1C(=O)CN=C(c2ccccc2)N1C.
What is the InChIKey of 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one?
The InChIKey is SEUGYYSWPNTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-10(15)8-12-11(14(13)2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one?
1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one has a molecular weight of 203.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenyl-5H-1,2,4-triazin-6-one is sourced from PubChem (CID 10954650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).