3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C13H16N4O2 — CID 117257305

IUPAC3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(CNC3CCCC3)nnc2c1
InChIInChI=1S/C13H16N4O2/c18-13(19)9-5-6-17-11(7-9)15-16-12(17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2,(H,18,19)
InChIKeyGRDHEUXWWPOMOO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.46
Rot. Bonds4

About 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117257305) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117257305
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(CNC3CCCC3)nnc2c1
InChIInChI=1S/C13H16N4O2/c18-13(19)9-5-6-17-11(7-9)15-16-12(17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2,(H,18,19)
InChIKeyGRDHEUXWWPOMOO-UHFFFAOYSA-N
XLogP1.46
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117257305) is 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(CNC3CCCC3)nnc2c1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is GRDHEUXWWPOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(19)9-5-6-17-11(7-9)15-16-12(17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2,(H,18,19).
What are the key properties of 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117257305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).