6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H10FN5O — CID 114180584

IUPAC6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(CNc2nc3ccc(F)cn3n2)o1
InChIInChI=1S/C11H10FN5O/c1-7-4-13-10(18-7)5-14-11-15-9-3-2-8(12)6-17(9)16-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyACQCJKJJMYDGGO-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.78
Rot. Bonds3

About 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114180584) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114180584
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(CNc2nc3ccc(F)cn3n2)o1
InChIInChI=1S/C11H10FN5O/c1-7-4-13-10(18-7)5-14-11-15-9-3-2-8(12)6-17(9)16-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyACQCJKJJMYDGGO-UHFFFAOYSA-N
XLogP1.78
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114180584) is 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cnc(CNc2nc3ccc(F)cn3n2)o1.
What is the InChIKey of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ACQCJKJJMYDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-7-4-13-10(18-7)5-14-11-15-9-3-2-8(12)6-17(9)16-11/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 247.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114180584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).