2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine

C8H8ClN5 — CID 61346341

IUPAC2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine
SMILESCc1nc(C)n(-c2cncc(Cl)n2)n1
InChIInChI=1S/C8H8ClN5/c1-5-11-6(2)14(13-5)8-4-10-3-7(9)12-8/h3-4H,1-2H3
InChIKeyYLUHWCLYLNPKGF-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.33
Rot. Bonds1

About 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine

2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine (PubChem CID 61346341) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine
PubChem CID61346341
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine
SMILESCc1nc(C)n(-c2cncc(Cl)n2)n1
InChIInChI=1S/C8H8ClN5/c1-5-11-6(2)14(13-5)8-4-10-3-7(9)12-8/h3-4H,1-2H3
InChIKeyYLUHWCLYLNPKGF-UHFFFAOYSA-N
XLogP1.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine (CID 61346341) is 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine is Cc1nc(C)n(-c2cncc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine?
The InChIKey is YLUHWCLYLNPKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-5-11-6(2)14(13-5)8-4-10-3-7(9)12-8/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine?
2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine has a molecular weight of 209.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 61346341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).