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

C8H12N4O2 — CID 64575922

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid
SMILESO=C(O)CCN1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h6H,1-5H2,(H,13,14)
InChIKeyXBSFEVPQMFIXTH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.43
Rot. Bonds3

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid (PubChem CID 64575922) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid
PubChem CID64575922
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid
SMILESO=C(O)CCN1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h6H,1-5H2,(H,13,14)
InChIKeyXBSFEVPQMFIXTH-UHFFFAOYSA-N
XLogP-0.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)propanoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid (CID 64575922) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid is O=C(O)CCN1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid?
The InChIKey is XBSFEVPQMFIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h6H,1-5H2,(H,13,14).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)propanoic acid is sourced from PubChem (CID 64575922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).