1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one

C13H16ClN5O — CID 54005261

IUPAC1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCNNc1nc(CC)n(-c2ccccc2Cl)c(=O)n1
InChIInChI=1S/C13H16ClN5O/c1-3-11-16-12(18-15-4-2)17-13(20)19(11)10-8-6-5-7-9(10)14/h5-8,15H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyKOKJGNCTLQQQJN-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one

1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54005261) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54005261
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCNNc1nc(CC)n(-c2ccccc2Cl)c(=O)n1
InChIInChI=1S/C13H16ClN5O/c1-3-11-16-12(18-15-4-2)17-13(20)19(11)10-8-6-5-7-9(10)14/h5-8,15H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyKOKJGNCTLQQQJN-UHFFFAOYSA-N
XLogP1.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.78
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-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one (CID 54005261) is 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one is CCNNc1nc(CC)n(-c2ccccc2Cl)c(=O)n1.
What is the InChIKey of 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is KOKJGNCTLQQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-11-16-12(18-15-4-2)17-13(20)19(11)10-8-6-5-7-9(10)14/h5-8,15H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one?
1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 293.76 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54005261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).