8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C6H4Cl2N4 — CID 131074135

IUPAC8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClCc1nnc2c(Cl)nccn12
InChIInChI=1S/C6H4Cl2N4/c7-3-4-10-11-6-5(8)9-1-2-12(4)6/h1-2H,3H2
InChIKeyYHOZBTZEVYOBGW-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.52
Rot. Bonds1

About 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 131074135) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID131074135
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClCc1nnc2c(Cl)nccn12
InChIInChI=1S/C6H4Cl2N4/c7-3-4-10-11-6-5(8)9-1-2-12(4)6/h1-2H,3H2
InChIKeyYHOZBTZEVYOBGW-UHFFFAOYSA-N
XLogP1.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 131074135) is 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is ClCc1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YHOZBTZEVYOBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c7-3-4-10-11-6-5(8)9-1-2-12(4)6/h1-2H,3H2.
What are the key properties of 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 203.03 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 131074135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).