2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

C14H16N4O4 — CID 50899216

IUPAC2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(=O)cc(CCC2CC2)n2[nH]cnc12
InChIInChI=1S/C14H16N4O4/c19-10-5-9(4-3-8-1-2-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21)
InChIKeyUSQDDFWSMYDWQN-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.18
Rot. Bonds6

About 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 50899216) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID50899216
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(=O)cc(CCC2CC2)n2[nH]cnc12
InChIInChI=1S/C14H16N4O4/c19-10-5-9(4-3-8-1-2-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21)
InChIKeyUSQDDFWSMYDWQN-UHFFFAOYSA-N
XLogP0.18
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (CID 50899216) is 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(=O)cc(CCC2CC2)n2[nH]cnc12.
What is the InChIKey of 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is USQDDFWSMYDWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c19-10-5-9(4-3-8-1-2-8)18-13(16-7-17-18)12(10)14(22)15-6-11(20)21/h5,7-8H,1-4,6H2,(H,15,22)(H,16,17)(H,20,21).
What are the key properties of 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid has a molecular weight of 304.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopropylethyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 50899216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).