6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

C9H8ClN5O — CID 135609576

IUPAC6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2ccccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C9H8ClN5O/c10-6-4-2-1-3-5(6)7-12-8(15-11)14-9(16)13-7/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyYOXPDCORXUJHEN-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.77
Rot. Bonds2

About 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (PubChem CID 135609576) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
PubChem CID135609576
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2ccccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C9H8ClN5O/c10-6-4-2-1-3-5(6)7-12-8(15-11)14-9(16)13-7/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyYOXPDCORXUJHEN-UHFFFAOYSA-N
XLogP0.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (CID 135609576) is 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is NNc1nc(-c2ccccc2Cl)[nH]c(=O)n1.
What is the InChIKey of 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The InChIKey is YOXPDCORXUJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-6-4-2-1-3-5(6)7-12-8(15-11)14-9(16)13-7/h1-4H,11H2,(H2,12,13,14,15,16).
What are the key properties of 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one has a molecular weight of 237.65 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135609576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).