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

C6H3N4O2- — CID 86307043

IUPAC[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESO=C([O-])c1nnc2cnccn12
InChIInChI=1S/C6H4N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h1-3H,(H,11,12)/p-1
InChIKeyDEKZPGQGALUACN-UHFFFAOYSA-M
MW163.12 g/mol
LogP-1.51
Rot. Bonds1

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

[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 86307043) has the molecular formula C6H3N4O2- and a molecular weight of 163.12 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID86307043
Molecular FormulaC6H3N4O2-
Molecular Weight163.12 g/mol
Exact Mass163.03
IUPAC Name[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESO=C([O-])c1nnc2cnccn12
InChIInChI=1S/C6H4N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h1-3H,(H,11,12)/p-1
InChIKeyDEKZPGQGALUACN-UHFFFAOYSA-M
XLogP-1.51
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

potassium [1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 153470348
3-pent-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 174183159
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 170633995
sodium 8-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 134828406
[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
CID 16770347
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449
ethyl 2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butanoate
CID 79471998
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617
2-methylimidazo[1,2-a]pyrazin-3-ol
CID 135410169
2,2,2-trifluoro-1-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 166610070
ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate
CID 79471738
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 86307043) is [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is O=C([O-])c1nnc2cnccn12.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is DEKZPGQGALUACN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h1-3H,(H,11,12)/p-1.
What are the key properties of [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 163.12 g/mol, XLogP of -1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 86307043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).