1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

C14H19N5O — CID 54001530

IUPAC1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1nc(NNC)nc(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C14H19N5O/c1-5-11-16-13(18-15-4)17-14(20)19(11)12-9(2)7-6-8-10(12)3/h6-8,15H,5H2,1-4H3,(H,17,18,20)
InChIKeyKLYXAWZAZYZLHI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54001530) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54001530
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCc1nc(NNC)nc(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C14H19N5O/c1-5-11-16-13(18-15-4)17-14(20)19(11)12-9(2)7-6-8-10(12)3/h6-8,15H,5H2,1-4H3,(H,17,18,20)
InChIKeyKLYXAWZAZYZLHI-UHFFFAOYSA-N
XLogP1.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (CID 54001530) is 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is CCc1nc(NNC)nc(=O)n1-c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is KLYXAWZAZYZLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-5-11-16-13(18-15-4)17-14(20)19(11)12-9(2)7-6-8-10(12)3/h6-8,15H,5H2,1-4H3,(H,17,18,20).
What are the key properties of 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54001530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).