6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C6H5ClN4 — CID 121232255

IUPAC6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc(Cl)cn2ncnc12
InChIInChI=1S/C6H5ClN4/c1-4-6-8-3-9-11(6)2-5(7)10-4/h2-3H,1H3
InChIKeyGUFQEJYTCGOEBM-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.09
Rot. Bonds

About 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine

6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 121232255) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID121232255
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc(Cl)cn2ncnc12
InChIInChI=1S/C6H5ClN4/c1-4-6-8-3-9-11(6)2-5(7)10-4/h2-3H,1H3
InChIKeyGUFQEJYTCGOEBM-UHFFFAOYSA-N
XLogP1.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 121232255) is 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1nc(Cl)cn2ncnc12.
What is the InChIKey of 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is GUFQEJYTCGOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-4-6-8-3-9-11(6)2-5(7)10-4/h2-3H,1H3.
What are the key properties of 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 168.59 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 121232255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).