[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol

C16H16FN3OS — CID 10358450

IUPAC[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3CO)cn12
InChIInChI=1S/C16H16FN3OS/c1-10(2)16-19-18-15-6-4-13(8-20(15)16)22-14-5-3-12(17)7-11(14)9-21/h3-8,10,21H,9H2,1-2H3
InChIKeyKOSCTWKLIXYRLT-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.64
Rot. Bonds4

About [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol

[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol (PubChem CID 10358450) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol
PubChem CID10358450
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3CO)cn12
InChIInChI=1S/C16H16FN3OS/c1-10(2)16-19-18-15-6-4-13(8-20(15)16)22-14-5-3-12(17)7-11(14)9-21/h3-8,10,21H,9H2,1-2H3
InChIKeyKOSCTWKLIXYRLT-UHFFFAOYSA-N
XLogP3.64
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol (CID 10358450) is [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol is CC(C)c1nnc2ccc(Sc3ccc(F)cc3CO)cn12.
What is the InChIKey of [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol?
The InChIKey is KOSCTWKLIXYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-10(2)16-19-18-15-6-4-13(8-20(15)16)22-14-5-3-12(17)7-11(14)9-21/h3-8,10,21H,9H2,1-2H3.
What are the key properties of [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol?
[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol has a molecular weight of 317.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 10358450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).