2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C14H17N5O3 — CID 110455596

IUPAC2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1nc2c(NC3CCCC3)ccc(C(=O)O)n2n1
InChIInChI=1S/C14H17N5O3/c1-8(20)15-14-17-12-10(16-9-4-2-3-5-9)6-7-11(13(21)22)19(12)18-14/h6-7,9,16H,2-5H2,1H3,(H,21,22)(H,15,18,20)
InChIKeyFTOJGIZRHWMGMU-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.74
Rot. Bonds4

About 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 110455596) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID110455596
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1nc2c(NC3CCCC3)ccc(C(=O)O)n2n1
InChIInChI=1S/C14H17N5O3/c1-8(20)15-14-17-12-10(16-9-4-2-3-5-9)6-7-11(13(21)22)19(12)18-14/h6-7,9,16H,2-5H2,1H3,(H,21,22)(H,15,18,20)
InChIKeyFTOJGIZRHWMGMU-UHFFFAOYSA-N
XLogP1.74
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 110455596) is 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CC(=O)Nc1nc2c(NC3CCCC3)ccc(C(=O)O)n2n1.
What is the InChIKey of 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is FTOJGIZRHWMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8(20)15-14-17-12-10(16-9-4-2-3-5-9)6-7-11(13(21)22)19(12)18-14/h6-7,9,16H,2-5H2,1H3,(H,21,22)(H,15,18,20).
What are the key properties of 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-8-(cyclopentylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 110455596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).