2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid

C7H7N5O2 — CID 104571156

IUPAC2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2nnnn2n1
InChIInChI=1S/C7H7N5O2/c1-4(7(13)14)5-2-3-6-8-10-11-12(6)9-5/h2-4H,1H3,(H,13,14)
InChIKeyLRLXQJARPVOBMT-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.29
Rot. Bonds2

About 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid

2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid (PubChem CID 104571156) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
PubChem CID104571156
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2nnnn2n1
InChIInChI=1S/C7H7N5O2/c1-4(7(13)14)5-2-3-6-8-10-11-12(6)9-5/h2-4H,1H3,(H,13,14)
InChIKeyLRLXQJARPVOBMT-UHFFFAOYSA-N
XLogP-0.29
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid?
The IUPAC name of 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid (CID 104571156) is 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid.
What is the SMILES notation for 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid?
The canonical SMILES for 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid is CC(C(=O)O)c1ccc2nnnn2n1.
What is the InChIKey of 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid?
The InChIKey is LRLXQJARPVOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-4(7(13)14)5-2-3-6-8-10-11-12(6)9-5/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid?
2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid has a molecular weight of 193.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid is sourced from PubChem (CID 104571156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).