2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol

C12H11FN4OS — CID 106435634

IUPAC2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1nc2ccc(F)cn2n1)c1ccsc1
InChIInChI=1S/C12H11FN4OS/c13-9-1-2-11-15-12(16-17(11)6-9)14-5-10(18)8-3-4-19-7-8/h1-4,6-7,10,18H,5H2,(H,14,16)
InChIKeyJDPKNZNFXAECGH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.08
Rot. Bonds4

About 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol

2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106435634) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106435634
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC Name2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1nc2ccc(F)cn2n1)c1ccsc1
InChIInChI=1S/C12H11FN4OS/c13-9-1-2-11-15-12(16-17(11)6-9)14-5-10(18)8-3-4-19-7-8/h1-4,6-7,10,18H,5H2,(H,14,16)
InChIKeyJDPKNZNFXAECGH-UHFFFAOYSA-N
XLogP2.08
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol (CID 106435634) is 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol is OC(CNc1nc2ccc(F)cn2n1)c1ccsc1.
What is the InChIKey of 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is JDPKNZNFXAECGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c13-9-1-2-11-15-12(16-17(11)6-9)14-5-10(18)8-3-4-19-7-8/h1-4,6-7,10,18H,5H2,(H,14,16).
What are the key properties of 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 278.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).