1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid

C15H16FN5O2 — CID 162444429

IUPAC1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnc(N3CCC4(CC3)CC4)c(F)c2)nn1
InChIInChI=1S/C15H16FN5O2/c16-11-7-10(21-9-12(14(22)23)18-19-21)8-17-13(11)20-5-3-15(1-2-15)4-6-20/h7-9H,1-6H2,(H,22,23)
InChIKeyAMDLZGQZMYKAHD-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.88
Rot. Bonds3

About 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid

1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid (PubChem CID 162444429) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid
PubChem CID162444429
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnc(N3CCC4(CC3)CC4)c(F)c2)nn1
InChIInChI=1S/C15H16FN5O2/c16-11-7-10(21-9-12(14(22)23)18-19-21)8-17-13(11)20-5-3-15(1-2-15)4-6-20/h7-9H,1-6H2,(H,22,23)
InChIKeyAMDLZGQZMYKAHD-UHFFFAOYSA-N
XLogP1.88
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid;methyl 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylate
CID 175894628
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid
CID 162444309
1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-carboxylic acid
CID 162444845
1-[6-(4-chloropiperidin-1-yl)-5-fluoro-3-pyridinyl]-N-(5,6-difluoro-1H-indol-3-yl)triazole-4-carboxamide
CID 162444347
N-[1-[1-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]triazol-4-yl]ethenyl]-5,6-difluoro-1H-indol-3-amine
CID 162444408
5-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-imidazole-2-carboxylic acid
CID 162444308
methyl 1-(3,4,5-trifluorophenyl)triazole-4-carboxylate
CID 122241205
methyl 1-[5-fluoro-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]triazole-4-carboxylate
CID 168867328
1-(2-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
CID 112708353
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 63160780

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid (CID 162444429) is 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid is O=C(O)c1cn(-c2cnc(N3CCC4(CC3)CC4)c(F)c2)nn1.
What is the InChIKey of 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid?
The InChIKey is AMDLZGQZMYKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-7-10(21-9-12(14(22)23)18-19-21)8-17-13(11)20-5-3-15(1-2-15)4-6-20/h7-9H,1-6H2,(H,22,23).
What are the key properties of 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid?
1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-azaspiro[2.5]octan-6-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid is sourced from PubChem (CID 162444429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).