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

C12H13FN4O — CID 82557145

IUPAC4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
SMILESNc1nc2n(n1)CC(c1ccc(O)c(F)c1)CC2
InChIInChI=1S/C12H13FN4O/c13-9-5-7(1-3-10(9)18)8-2-4-11-15-12(14)16-17(11)6-8/h1,3,5,8,18H,2,4,6H2,(H2,14,16)
InChIKeyHRVQGMXNUQWLTD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.43
Rot. Bonds1

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

4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol (PubChem CID 82557145) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
PubChem CID82557145
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
SMILESNc1nc2n(n1)CC(c1ccc(O)c(F)c1)CC2
InChIInChI=1S/C12H13FN4O/c13-9-5-7(1-3-10(9)18)8-2-4-11-15-12(14)16-17(11)6-8/h1,3,5,8,18H,2,4,6H2,(H2,14,16)
InChIKeyHRVQGMXNUQWLTD-UHFFFAOYSA-N
XLogP1.43
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol (CID 82557145) is 4-(2-amino-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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol is Nc1nc2n(n1)CC(c1ccc(O)c(F)c1)CC2.
What is the InChIKey of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
The InChIKey is HRVQGMXNUQWLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-5-7(1-3-10(9)18)8-2-4-11-15-12(14)16-17(11)6-8/h1,3,5,8,18H,2,4,6H2,(H2,14,16).
What are the key properties of 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol?
4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol has a molecular weight of 248.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol is sourced from PubChem (CID 82557145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).