2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid

C9H10N4O2 — CID 104572053

IUPAC2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
SMILESCCC(C(=O)O)c1nccn2cnnc12
InChIInChI=1S/C9H10N4O2/c1-2-6(9(14)15)7-8-12-11-5-13(8)4-3-10-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyOFBHVXXJGHHAMA-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.70
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid

2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid (PubChem CID 104572053) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
PubChem CID104572053
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
SMILESCCC(C(=O)O)c1nccn2cnnc12
InChIInChI=1S/C9H10N4O2/c1-2-6(9(14)15)7-8-12-11-5-13(8)4-3-10-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyOFBHVXXJGHHAMA-UHFFFAOYSA-N
XLogP0.70
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid
CID 104573389
3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
CID 65226260
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 125496106
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
CID 115886194
N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80676331
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83877948
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
8-butan-2-ylimidazo[1,2-a]pyrazine;ethane
CID 178009513

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid (CID 104572053) is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid is CCC(C(=O)O)c1nccn2cnnc12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid?
The InChIKey is OFBHVXXJGHHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-6(9(14)15)7-8-12-11-5-13(8)4-3-10-7/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid?
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid has a molecular weight of 206.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid is sourced from PubChem (CID 104572053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).