3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid

C9H9N5O3 — CID 136742815

IUPAC3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9N5O3/c15-7-2-1-6(5-10-7)9-11-12-13-14(9)4-3-8(16)17/h1-2,5H,3-4H2,(H,10,15)(H,16,17)
InChIKeyIXYYYIKNDBWJHE-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.50
Rot. Bonds4

About 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid

3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 136742815) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID136742815
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9N5O3/c15-7-2-1-6(5-10-7)9-11-12-13-14(9)4-3-8(16)17/h1-2,5H,3-4H2,(H,10,15)(H,16,17)
InChIKeyIXYYYIKNDBWJHE-UHFFFAOYSA-N
XLogP-0.50
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid (CID 136742815) is 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1-c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is IXYYYIKNDBWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-7-2-1-6(5-10-7)9-11-12-13-14(9)4-3-8(16)17/h1-2,5H,3-4H2,(H,10,15)(H,16,17).
What are the key properties of 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid?
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 235.20 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 136742815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).