5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide

C12H12FN5O — CID 164642091

IUPAC5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCn2ncnc21)c1cncc(F)c1
InChIInChI=1S/C12H12FN5O/c13-9-4-8(5-14-6-9)12(19)17-10-2-1-3-18-11(10)15-7-16-18/h4-7,10H,1-3H2,(H,17,19)/t10-/m0/s1
InChIKeyVZYFOQYUBMDRRP-JTQLQIEISA-N
MW261.26 g/mol
LogP1.08
Rot. Bonds2

About 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide

5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide (PubChem CID 164642091) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
PubChem CID164642091
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCn2ncnc21)c1cncc(F)c1
InChIInChI=1S/C12H12FN5O/c13-9-4-8(5-14-6-9)12(19)17-10-2-1-3-18-11(10)15-7-16-18/h4-7,10H,1-3H2,(H,17,19)/t10-/m0/s1
InChIKeyVZYFOQYUBMDRRP-JTQLQIEISA-N
XLogP1.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide (CID 164642091) is 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide is O=C(N[C@H]1CCCn2ncnc21)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide?
The InChIKey is VZYFOQYUBMDRRP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12FN5O/c13-9-4-8(5-14-6-9)12(19)17-10-2-1-3-18-11(10)15-7-16-18/h4-7,10H,1-3H2,(H,17,19)/t10-/m0/s1.
What are the key properties of 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide?
5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164642091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).