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

C14H19F3N6O — CID 95314791

IUPACN,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
SMILESCc1cc(N2CCO[C@@H](CN(C)C)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6O/c1-9-6-11(22-4-5-24-10(8-22)7-21(2)3)23-13(18-9)19-12(20-23)14(15,16)17/h6,10H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeySAANPDZJXIIQEK-JTQLQIEISA-N
MW344.34 g/mol
LogP1.22
Rot. Bonds3

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

N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine (PubChem CID 95314791) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
PubChem CID95314791
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC NameN,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
SMILESCc1cc(N2CCO[C@@H](CN(C)C)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6O/c1-9-6-11(22-4-5-24-10(8-22)7-21(2)3)23-13(18-9)19-12(20-23)14(15,16)17/h6,10H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeySAANPDZJXIIQEK-JTQLQIEISA-N
XLogP1.22
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine (CID 95314791) is N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine is Cc1cc(N2CCO[C@@H](CN(C)C)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine?
The InChIKey is SAANPDZJXIIQEK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-9-6-11(22-4-5-24-10(8-22)7-21(2)3)23-13(18-9)19-12(20-23)14(15,16)17/h6,10H,4-5,7-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine has a molecular weight of 344.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95314791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).