3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid

C10H16N4O3 — CID 64579093

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid
SMILESCCOC(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-2-17-8(10(15)16)5-13-3-4-14-7-11-12-9(14)6-13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyRXBNGCXKJZUOGM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.42
Rot. Bonds5

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid (PubChem CID 64579093) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid
PubChem CID64579093
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid
SMILESCCOC(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-2-17-8(10(15)16)5-13-3-4-14-7-11-12-9(14)6-13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyRXBNGCXKJZUOGM-UHFFFAOYSA-N
XLogP-0.42
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid (CID 64579093) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid is CCOC(CN1CCn2cnnc2C1)C(=O)O.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid?
The InChIKey is RXBNGCXKJZUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-17-8(10(15)16)5-13-3-4-14-7-11-12-9(14)6-13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypropanoic acid is sourced from PubChem (CID 64579093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).