6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

C11H12ClN5O — CID 70535483

IUPAC6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCNNc1nc(-c2ccc(Cl)cc2)n(C)c(=O)n1
InChIInChI=1S/C11H12ClN5O/c1-13-16-10-14-9(17(2)11(18)15-10)7-3-5-8(12)6-4-7/h3-6,13H,1-2H3,(H,15,16,18)
InChIKeyKYUPUNLESMRZQP-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.04
Rot. Bonds3

About 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 70535483) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID70535483
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCNNc1nc(-c2ccc(Cl)cc2)n(C)c(=O)n1
InChIInChI=1S/C11H12ClN5O/c1-13-16-10-14-9(17(2)11(18)15-10)7-3-5-8(12)6-4-7/h3-6,13H,1-2H3,(H,15,16,18)
InChIKeyKYUPUNLESMRZQP-UHFFFAOYSA-N
XLogP1.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.04
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 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (CID 70535483) is 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is CNNc1nc(-c2ccc(Cl)cc2)n(C)c(=O)n1.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is KYUPUNLESMRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-13-16-10-14-9(17(2)11(18)15-10)7-3-5-8(12)6-4-7/h3-6,13H,1-2H3,(H,15,16,18).
What are the key properties of 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 265.70 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 70535483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).