2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H11F5N6 — CID 122552662

IUPAC2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)nc2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3
InChIKeyHDLFZCDEGAWEFX-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.70
Rot. Bonds3

About 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122552662) has the molecular formula C14H11F5N6 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID122552662
Molecular FormulaC14H11F5N6
Molecular Weight358.27 g/mol
Exact Mass358.10
IUPAC Name2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)nc2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3
InChIKeyHDLFZCDEGAWEFX-UHFFFAOYSA-N
XLogP3.70
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 122552662) is 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(C(F)(F)F)nc2)n2nc(C(C)(F)F)nc2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HDLFZCDEGAWEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 358.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122552662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).