2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid

C7H10N4O2 — CID 83817108

IUPAC2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2nnnc2C1
InChIInChI=1S/C7H10N4O2/c12-7(13)4-5-1-2-11-6(3-5)8-9-10-11/h5H,1-4H2,(H,12,13)
InChIKeyXMBWLKGYNJJPFC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.29
Rot. Bonds2

About 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid

2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 83817108) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID83817108
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(O)CC1CCn2nnnc2C1
InChIInChI=1S/C7H10N4O2/c12-7(13)4-5-1-2-11-6(3-5)8-9-10-11/h5H,1-4H2,(H,12,13)
InChIKeyXMBWLKGYNJJPFC-UHFFFAOYSA-N
XLogP-0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid (CID 83817108) is 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid is O=C(O)CC1CCn2nnnc2C1.
What is the InChIKey of 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is XMBWLKGYNJJPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)4-5-1-2-11-6(3-5)8-9-10-11/h5H,1-4H2,(H,12,13).
What are the key properties of 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid?
2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 83817108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).