3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid

C8H12N4O2 — CID 83879776

IUPAC3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid
SMILESO=C(O)CCC1CCCn2nnnc21
InChIInChI=1S/C8H12N4O2/c13-7(14)4-3-6-2-1-5-12-8(6)9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyBEELONDEKJTJFK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds3

About 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid

3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid (PubChem CID 83879776) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid
PubChem CID83879776
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid
SMILESO=C(O)CCC1CCCn2nnnc21
InChIInChI=1S/C8H12N4O2/c13-7(14)4-3-6-2-1-5-12-8(6)9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyBEELONDEKJTJFK-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid?
The IUPAC name of 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid (CID 83879776) is 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid.
What is the SMILES notation for 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid?
The canonical SMILES for 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid is O=C(O)CCC1CCCn2nnnc21.
What is the InChIKey of 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid?
The InChIKey is BEELONDEKJTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(14)4-3-6-2-1-5-12-8(6)9-10-11-12/h6H,1-5H2,(H,13,14).
What are the key properties of 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid?
3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid is sourced from PubChem (CID 83879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).