4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine

C8H6FN5 — CID 178151738

IUPAC4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cnccc2F)n1
InChIInChI=1S/C8H6FN5/c9-6-1-2-11-3-5(6)7-12-4-13-8(10)14-7/h1-4H,(H2,10,12,13,14)
InChIKeyNGPPLTOTGOSDCS-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.65
Rot. Bonds1

About 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine

4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 178151738) has the molecular formula C8H6FN5 and a molecular weight of 191.17 g/mol. Its IUPAC name is 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID178151738
Molecular FormulaC8H6FN5
Molecular Weight191.17 g/mol
Exact Mass191.06
IUPAC Name4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cnccc2F)n1
InChIInChI=1S/C8H6FN5/c9-6-1-2-11-3-5(6)7-12-4-13-8(10)14-7/h1-4H,(H2,10,12,13,14)
InChIKeyNGPPLTOTGOSDCS-UHFFFAOYSA-N
XLogP0.65
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine (CID 178151738) is 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine is Nc1ncnc(-c2cnccc2F)n1.
What is the InChIKey of 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is NGPPLTOTGOSDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5/c9-6-1-2-11-3-5(6)7-12-4-13-8(10)14-7/h1-4H,(H2,10,12,13,14).
What are the key properties of 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine?
4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 191.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 178151738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).