3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C10H13N5O2 — CID 146677319

IUPAC3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCCc1nc2ncnn2c(N)c1CCC(=O)O
InChIInChI=1S/C10H13N5O2/c1-2-7-6(3-4-8(16)17)9(11)15-10(14-7)12-5-13-15/h5H,2-4,11H2,1H3,(H,16,17)
InChIKeyCUHDQSTVPYOOSZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.29
Rot. Bonds4

About 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 146677319) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID146677319
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCCc1nc2ncnn2c(N)c1CCC(=O)O
InChIInChI=1S/C10H13N5O2/c1-2-7-6(3-4-8(16)17)9(11)15-10(14-7)12-5-13-15/h5H,2-4,11H2,1H3,(H,16,17)
InChIKeyCUHDQSTVPYOOSZ-UHFFFAOYSA-N
XLogP0.29
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 146677319) is 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is CCc1nc2ncnn2c(N)c1CCC(=O)O.
What is the InChIKey of 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is CUHDQSTVPYOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-7-6(3-4-8(16)17)9(11)15-10(14-7)12-5-13-15/h5H,2-4,11H2,1H3,(H,16,17).
What are the key properties of 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 235.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 146677319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).