N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H18F3N5O — CID 95580696

IUPACN,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C[C@@H]2CCCCO2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H18F3N5O/c1-9-7-11(21(2)8-10-5-3-4-6-23-10)22-13(18-9)19-12(20-22)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyXGGAINWCIULXNY-JTQLQIEISA-N
MW329.33 g/mol
LogP2.46
Rot. Bonds3

About N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95580696) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID95580696
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C[C@@H]2CCCCO2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H18F3N5O/c1-9-7-11(21(2)8-10-5-3-4-6-23-10)22-13(18-9)19-12(20-22)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyXGGAINWCIULXNY-JTQLQIEISA-N
XLogP2.46
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 95580696) is N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)C[C@@H]2CCCCO2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XGGAINWCIULXNY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-9-7-11(21(2)8-10-5-3-4-6-23-10)22-13(18-9)19-12(20-22)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95580696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).