4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol

C13H15FN4O — CID 82557415

IUPAC4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
SMILESCC1C(c2ccc(O)c(F)c2)CCc2nc(N)nn21
InChIInChI=1S/C13H15FN4O/c1-7-9(8-2-4-11(19)10(14)6-8)3-5-12-16-13(15)17-18(7)12/h2,4,6-7,9,19H,3,5H2,1H3,(H2,15,17)
InChIKeyDWHDAITZBCZKGG-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.00
Rot. Bonds1

About 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol

4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol (PubChem CID 82557415) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
PubChem CID82557415
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
SMILESCC1C(c2ccc(O)c(F)c2)CCc2nc(N)nn21
InChIInChI=1S/C13H15FN4O/c1-7-9(8-2-4-11(19)10(14)6-8)3-5-12-16-13(15)17-18(7)12/h2,4,6-7,9,19H,3,5H2,1H3,(H2,15,17)
InChIKeyDWHDAITZBCZKGG-UHFFFAOYSA-N
XLogP2.00
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol (CID 82557415) is 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol is CC1C(c2ccc(O)c(F)c2)CCc2nc(N)nn21.
What is the InChIKey of 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The InChIKey is DWHDAITZBCZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-9(8-2-4-11(19)10(14)6-8)3-5-12-16-13(15)17-18(7)12/h2,4,6-7,9,19H,3,5H2,1H3,(H2,15,17).
What are the key properties of 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol has a molecular weight of 262.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol is sourced from PubChem (CID 82557415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).