2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid

C8H7ClN4O2 — CID 84690695

IUPAC2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nnc2cnc(Cl)cn12
InChIInChI=1S/C8H7ClN4O2/c1-4(8(14)15)7-12-11-6-2-10-5(9)3-13(6)7/h2-4H,1H3,(H,14,15)
InChIKeyLTUMWEJIPWDBST-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.97
Rot. Bonds2

About 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid

2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid (PubChem CID 84690695) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
PubChem CID84690695
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nnc2cnc(Cl)cn12
InChIInChI=1S/C8H7ClN4O2/c1-4(8(14)15)7-12-11-6-2-10-5(9)3-13(6)7/h2-4H,1H3,(H,14,15)
InChIKeyLTUMWEJIPWDBST-UHFFFAOYSA-N
XLogP0.97
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid
CID 84690684
6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine
CID 133063746
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-N-methylmethanamine
CID 84667940
6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile
CID 131092138
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
3,6-dichloroimidazo[1,2-a]pyrazine
CID 12841573
2-(3-chloro-1,2-oxazol-5-yl)propanoic acid
CID 70427851
3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
CID 84690769
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
CID 83896634
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
2-(3-chloropyrazin-2-yl)propanoic acid
CID 175668378

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid (CID 84690695) is 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid is CC(C(=O)O)c1nnc2cnc(Cl)cn12.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The InChIKey is LTUMWEJIPWDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2/c1-4(8(14)15)7-12-11-6-2-10-5(9)3-13(6)7/h2-4H,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid has a molecular weight of 226.62 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid is sourced from PubChem (CID 84690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).