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

C9H7Cl2N5 — CID 3053951

IUPAC[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H7Cl2N5/c10-6-2-1-5(3-7(6)11)8-4-13-16-9(14-8)15-12/h1-4H,12H2,(H,14,15,16)
InChIKeyVMDWVMXBXNJYMH-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.13
Rot. Bonds2

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

[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 3053951) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID3053951
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H7Cl2N5/c10-6-2-1-5(3-7(6)11)8-4-13-16-9(14-8)15-12/h1-4H,12H2,(H,14,15,16)
InChIKeyVMDWVMXBXNJYMH-UHFFFAOYSA-N
XLogP2.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.13
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

Lamotrigine
CID 3878
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
1,2,4-Triazine, 5-(4-chlorophenyl)-3-(methylthio)-
CID 2799497
as-Triazine, 3-hydrazino-5-phenyl-
CID 98542
as-Triazine, 5-(4-chlorophenyl)-3-hydrazino-
CID 3042263
as-Triazine, 3-(2-methylhydrazino)-5-phenyl-
CID 3053019
Propionic acid, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide
CID 3053068
as-Triazine, 5-(3-chlorophenyl)-3-hydrazino-
CID 3053950
1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine
CID 45378641
Acetic acid, 2-(5-(3,4-dichlorophenyl)-3-as-triazinyl)hydrazide
CID 51090
Acetic acid, trifluoro-, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide
CID 51091
Acetic acid, trifluoro-, 2-(5-(3-chlorophenyl)-3-as-triazinyl)hydrazide
CID 51092

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine (CID 3053951) is [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine is NNc1nncc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is VMDWVMXBXNJYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5/c10-6-2-1-5(3-7(6)11)8-4-13-16-9(14-8)15-12/h1-4H,12H2,(H,14,15,16).
What are the key properties of [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine?
[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 256.10 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 3053951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).