4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid

C7H9N3O2 — CID 75465095

IUPAC4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCn2nncc2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)4-8-9-10/h4-5H,1-3H2,(H,11,12)
InChIKeyHFIGPGQSJCURTH-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.07
Rot. Bonds1

About 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid

4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 75465095) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID75465095
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCn2nncc2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)4-8-9-10/h4-5H,1-3H2,(H,11,12)
InChIKeyHFIGPGQSJCURTH-UHFFFAOYSA-N
XLogP-0.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid (CID 75465095) is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCn2nncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is HFIGPGQSJCURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)4-8-9-10/h4-5H,1-3H2,(H,11,12).
What are the key properties of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid?
4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 75465095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).