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

C9H8ClN5 — CID 3053950

IUPAC[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H8ClN5/c10-7-3-1-2-6(4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15)
InChIKeyGHTOJJBGIFZDAT-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.48
Rot. Bonds2

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

[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 3053950) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID3053950
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H8ClN5/c10-7-3-1-2-6(4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15)
InChIKeyGHTOJJBGIFZDAT-UHFFFAOYSA-N
XLogP1.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.48
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'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (CID 3053950) is [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is NNc1nncc(-c2cccc(Cl)c2)n1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is GHTOJJBGIFZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-7-3-1-2-6(4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15).
What are the key properties of [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 221.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 3053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).