5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one

C11H13N3O — CID 15149735

IUPAC5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCC1=NC(Cc2ccccc2)C(=O)NN1
InChIInChI=1S/C11H13N3O/c1-8-12-10(11(15)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyZJRDHFSMTNCBHO-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.65
Rot. Bonds2

About 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one

5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 15149735) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID15149735
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCC1=NC(Cc2ccccc2)C(=O)NN1
InChIInChI=1S/C11H13N3O/c1-8-12-10(11(15)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyZJRDHFSMTNCBHO-UHFFFAOYSA-N
XLogP0.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 15149735) is 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is CC1=NC(Cc2ccccc2)C(=O)NN1.
What is the InChIKey of 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is ZJRDHFSMTNCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-12-10(11(15)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 203.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 15149735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).