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

C12H12FN5O — CID 106388771

IUPAC6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccc(F)cn3n2)o1
InChIInChI=1S/C12H12FN5O/c1-7-5-14-11(19-7)8(2)15-12-16-10-4-3-9(13)6-18(10)17-12/h3-6,8H,1-2H3,(H,15,17)
InChIKeySHMAJFVBVDCHLN-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.34
Rot. Bonds3

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

6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106388771) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106388771
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccc(F)cn3n2)o1
InChIInChI=1S/C12H12FN5O/c1-7-5-14-11(19-7)8(2)15-12-16-10-4-3-9(13)6-18(10)17-12/h3-6,8H,1-2H3,(H,15,17)
InChIKeySHMAJFVBVDCHLN-UHFFFAOYSA-N
XLogP2.34
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106388771) is 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cnc(C(C)Nc2nc3ccc(F)cn3n2)o1.
What is the InChIKey of 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SHMAJFVBVDCHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-7-5-14-11(19-7)8(2)15-12-16-10-4-3-9(13)6-18(10)17-12/h3-6,8H,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 261.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106388771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).