2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid

C10H13N5O5 — CID 64575070

IUPAC2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H13N5O5/c16-8(4-20-5-9(17)18)12-10(19)14-1-2-15-6-11-13-7(15)3-14/h6H,1-5H2,(H,17,18)(H,12,16,19)
InChIKeyFKTJKDLGENFGBX-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.57
Rot. Bonds4

About 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid (PubChem CID 64575070) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid
PubChem CID64575070
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H13N5O5/c16-8(4-20-5-9(17)18)12-10(19)14-1-2-15-6-11-13-7(15)3-14/h6H,1-5H2,(H,17,18)(H,12,16,19)
InChIKeyFKTJKDLGENFGBX-UHFFFAOYSA-N
XLogP-1.57
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid (CID 64575070) is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid?
The InChIKey is FKTJKDLGENFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c16-8(4-20-5-9(17)18)12-10(19)14-1-2-15-6-11-13-7(15)3-14/h6H,1-5H2,(H,17,18)(H,12,16,19).
What are the key properties of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid?
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid has a molecular weight of 283.24 g/mol, XLogP of -1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 64575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).