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

C11H17N5O4 — CID 79270828

IUPAC2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O4/c1-20-5-4-15(7-10(17)18)11(19)14-2-3-16-8-12-13-9(16)6-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyAJGRDTLDXMMYST-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.75
Rot. Bonds5

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

2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79270828) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid
PubChem CID79270828
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O4/c1-20-5-4-15(7-10(17)18)11(19)14-2-3-16-8-12-13-9(16)6-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyAJGRDTLDXMMYST-UHFFFAOYSA-N
XLogP-0.75
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid (CID 79270828) is 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is AJGRDTLDXMMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-20-5-4-15(7-10(17)18)11(19)14-2-3-16-8-12-13-9(16)6-14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid?
2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 283.29 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79270828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).