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

C10H13N5O5 — CID 64575462

IUPAC2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H13N5O5/c16-8(17)4-15(5-9(18)19)10(20)13-1-2-14-6-11-12-7(14)3-13/h6H,1-5H2,(H,16,17)(H,18,19)
InChIKeyBZFWXXPYEYKVSE-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.32
Rot. Bonds4

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

2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid (PubChem CID 64575462) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid
PubChem CID64575462
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H13N5O5/c16-8(17)4-15(5-9(18)19)10(20)13-1-2-14-6-11-12-7(14)3-13/h6H,1-5H2,(H,16,17)(H,18,19)
InChIKeyBZFWXXPYEYKVSE-UHFFFAOYSA-N
XLogP-1.32
TPSA128.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid (CID 64575462) is 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid?
The InChIKey is BZFWXXPYEYKVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c16-8(17)4-15(5-9(18)19)10(20)13-1-2-14-6-11-12-7(14)3-13/h6H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid?
2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid has a molecular weight of 283.24 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]acetic acid is sourced from PubChem (CID 64575462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).