[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine

C15H11Cl2N5 — CID 71347491

IUPAC[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11Cl2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22)
InChIKeyOKVDLKSQZJUZHJ-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.80
Rot. Bonds3

About [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine

[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 71347491) has the molecular formula C15H11Cl2N5 and a molecular weight of 332.19 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID71347491
Molecular FormulaC15H11Cl2N5
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11Cl2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22)
InChIKeyOKVDLKSQZJUZHJ-UHFFFAOYSA-N
XLogP3.80
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (CID 71347491) is [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is NNc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is OKVDLKSQZJUZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22).
What are the key properties of [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 332.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 71347491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).