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

C10H10ClN5 — CID 3053952

IUPAC1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
SMILESCNNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,14,15,16)
InChIKeySULODLQJEUAMTM-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.74
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine (PubChem CID 3053952) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
PubChem CID3053952
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
SMILESCNNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,14,15,16)
InChIKeySULODLQJEUAMTM-UHFFFAOYSA-N
XLogP1.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine (CID 3053952) is 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine is CNNc1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The InChIKey is SULODLQJEUAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,14,15,16).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine has a molecular weight of 235.68 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine is sourced from PubChem (CID 3053952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).