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

C10H12N4O2 — CID 84787363

IUPAC2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCCc1nc2ncc(C(C)C(=O)O)cn2n1
InChIInChI=1S/C10H12N4O2/c1-3-8-12-10-11-4-7(5-14(10)13-8)6(2)9(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyRJVHMGCOPCCCTQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.87
Rot. Bonds3

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

2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 84787363) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID84787363
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCCc1nc2ncc(C(C)C(=O)O)cn2n1
InChIInChI=1S/C10H12N4O2/c1-3-8-12-10-11-4-7(5-14(10)13-8)6(2)9(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyRJVHMGCOPCCCTQ-UHFFFAOYSA-N
XLogP0.87
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84787761
2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 84786678
2-(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 84673413
2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 114514173
2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 82043969
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84787752
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 82404041
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105480591
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794145
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
CID 83896634

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 84787363) is 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is CCc1nc2ncc(C(C)C(=O)O)cn2n1.
What is the InChIKey of 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is RJVHMGCOPCCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-8-12-10-11-4-7(5-14(10)13-8)6(2)9(15)16/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 84787363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).