2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine

C11H14ClN5 — CID 66466424

IUPAC2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine
SMILESCCc1nc(CC)n(-c2cncc(CCl)n2)n1
InChIInChI=1S/C11H14ClN5/c1-3-9-15-10(4-2)17(16-9)11-7-13-6-8(5-12)14-11/h6-7H,3-5H2,1-2H3
InChIKeyRZIAKWKETQPQEW-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.92
Rot. Bonds4

About 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine

2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine (PubChem CID 66466424) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine
PubChem CID66466424
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine
SMILESCCc1nc(CC)n(-c2cncc(CCl)n2)n1
InChIInChI=1S/C11H14ClN5/c1-3-9-15-10(4-2)17(16-9)11-7-13-6-8(5-12)14-11/h6-7H,3-5H2,1-2H3
InChIKeyRZIAKWKETQPQEW-UHFFFAOYSA-N
XLogP1.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine (CID 66466424) is 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine is CCc1nc(CC)n(-c2cncc(CCl)n2)n1.
What is the InChIKey of 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine?
The InChIKey is RZIAKWKETQPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-9-15-10(4-2)17(16-9)11-7-13-6-8(5-12)14-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine?
2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine has a molecular weight of 251.72 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 66466424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).