8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C20H13FN6 — CID 142426979

IUPAC8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12
InChIInChI=1S/C20H13FN6/c21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27/h1-11H,(H2,22,25)
InChIKeyJPFQHWSQTRSHLZ-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.73
Rot. Bonds2

About 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 142426979) has the molecular formula C20H13FN6 and a molecular weight of 356.36 g/mol. Its IUPAC name is 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID142426979
Molecular FormulaC20H13FN6
Molecular Weight356.36 g/mol
Exact Mass356.12
IUPAC Name8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12
InChIInChI=1S/C20H13FN6/c21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27/h1-11H,(H2,22,25)
InChIKeyJPFQHWSQTRSHLZ-UHFFFAOYSA-N
XLogP3.73
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 142426979) is 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Nc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12.
What is the InChIKey of 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is JPFQHWSQTRSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6/c21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27/h1-11H,(H2,22,25).
What are the key properties of 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 356.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 142426979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).