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

C9H8ClN5 — CID 3042263

IUPAC[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-7-3-1-6(2-4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15)
InChIKeyKNBBECLZSZIELM-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.48
Rot. Bonds2

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

[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 3042263) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID3042263
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-7-3-1-6(2-4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15)
InChIKeyKNBBECLZSZIELM-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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Related Compounds

5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
1,2,4-Triazine, 5-(4-chlorophenyl)-3-(methylthio)-
CID 2799497
6-(4-Chlorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 621011
1-(4-Chlorobenzylideneamino)-4-phenyl-1H-imidazol-2-amine
CID 21578791
4-(4-chlorophenyl)-1H-imidazole-1,2-diamine
CID 1478838
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
CID 21055055
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine
CID 21055057
Acetic acid, trifluoro-, 2-(5-phenyl-3-as-triazinyl)hydrazide
CID 50569
Acetic acid, 2-(5-phenyl-3-as-triazinyl)hydrazide
CID 50570
as-Triazine, 3-hydrazino-5-phenyl-
CID 98542
as-Triazine, 3-(2-methylhydrazino)-5-phenyl-
CID 3053019

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine (CID 3042263) is [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is NNc1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is KNBBECLZSZIELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-7-3-1-6(2-4-7)8-5-12-15-9(13-8)14-11/h1-5H,11H2,(H,13,14,15).
What are the key properties of [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
[5-(4-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-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 3042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).