2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C8H8N4O2 — CID 84772251

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc2ncnn2c1
InChIInChI=1S/C8H8N4O2/c1-5(7(13)14)6-2-9-8-10-4-11-12(8)3-6/h2-5H,1H3,(H,13,14)
InChIKeyYFCXPXFVCFZEKA-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.31
Rot. Bonds2

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 84772251) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID84772251
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc2ncnn2c1
InChIInChI=1S/C8H8N4O2/c1-5(7(13)14)6-2-9-8-10-4-11-12(8)3-6/h2-5H,1H3,(H,13,14)
InChIKeyYFCXPXFVCFZEKA-UHFFFAOYSA-N
XLogP0.31
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyrimidine-6-ethanol
CID 25248177
2-(6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 45602033
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 84728495
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806527
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806708
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
CID 84809754
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810466
2-[(5-Fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104605998
2,2-Difluoro-2-{pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CID 165836198
2-(1-Pyrimidin-2-ylpyrazol-4-yl)acetic acid
CID 67027708

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 84772251) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is CC(C(=O)O)c1cnc2ncnn2c1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is YFCXPXFVCFZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(7(13)14)6-2-9-8-10-4-11-12(8)3-6/h2-5H,1H3,(H,13,14).
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.31, 2 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[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 84772251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).