3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C6H6N4 — CID 584092

IUPAC3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnccn12
InChIInChI=1S/C6H6N4/c1-5-8-9-6-4-7-2-3-10(5)6/h2-4H,1H3
InChIKeyCGAHECZATVXWIB-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

About 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 584092) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID584092
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnccn12
InChIInChI=1S/C6H6N4/c1-5-8-9-6-4-7-2-3-10(5)6/h2-4H,1H3
InChIKeyCGAHECZATVXWIB-UHFFFAOYSA-N
XLogP0.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 584092) is 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2cnccn12.
What is the InChIKey of 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CGAHECZATVXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-8-9-6-4-7-2-3-10(5)6/h2-4H,1H3.
What are the key properties of 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 584092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).