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

C11H13N3O — CID 102222292

IUPAC1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one
SMILESCC1=C(c2ccccc2)N(C)NC(=O)N1
InChIInChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)14(2)13-11(15)12-8/h3-7H,1-2H3,(H2,12,13,15)
InChIKeyLZGCVIUPESLOQP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.53
Rot. Bonds1

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

1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one (PubChem CID 102222292) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one
PubChem CID102222292
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one
SMILESCC1=C(c2ccccc2)N(C)NC(=O)N1
InChIInChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)14(2)13-11(15)12-8/h3-7H,1-2H3,(H2,12,13,15)
InChIKeyLZGCVIUPESLOQP-UHFFFAOYSA-N
XLogP1.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one (CID 102222292) is 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one is CC1=C(c2ccccc2)N(C)NC(=O)N1.
What is the InChIKey of 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one?
The InChIKey is LZGCVIUPESLOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)14(2)13-11(15)12-8/h3-7H,1-2H3,(H2,12,13,15).
What are the key properties of 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one?
1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-phenyl-2,4-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 102222292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).